PubChemLite - Sulfo-egs crosslinker (C18H20N2O18S2)

Structural Information

Molecular Formula

SMILES

C1C(C(=O)N(C1=O)OC(=O)CCC(=O)OCCOC(=O)CCC(=O)ON2C(=O)CC(C2=O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H20N2O18S2/c21-11-7-9(39(29,30)31)17(27)19(11)37-15(25)3-1-13(23)35-5-6-36-14(24)2-4-16(26)38-20-12(22)8-10(18(20)28)40(32,33)34/h9-10H,1-8H2,(H,29,30,31)(H,32,33,34)

InChIKey

YDFAYDGRSWSLCT-UHFFFAOYSA-N

Compound name

1-[4-[2-[4-(2,5-dioxo-3-sulfopyrrolidin-1-yl)oxy-4-oxobutanoyl]oxyethoxy]-4-oxobutanoyl]oxy-2,5-dioxopyrrolidine-3-sulfonic acid

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	617.02254	189.9
[M+Na]+	639.00448	193.3
[M-H]-	615.00798	257.9
[M+NH4]+	634.04908	264.4
[M+K]+	654.97842	186.4
[M+H-H2O]+	599.01252	176.2
[M+HCOO]-	661.01346	265.6
[M+CH3COO]-	675.02911	245.0
[M+Na-2H]-	636.98993	197.9
[M]+	616.01471	195.7
[M]-	616.01581	195.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

617.02254

189.9

[M+Na]+

639.00448

193.3

[M-H]-

615.00798

257.9

[M+NH4]+

634.04908

264.4

[M+K]+

654.97842

186.4

[M+H-H2O]+

599.01252

176.2

[M+HCOO]-

661.01346

265.6

[M+CH3COO]-

675.02911

245.0

[M+Na-2H]-

636.98993

197.9

[M]+

616.01471

195.7

[M]-

616.01581

195.7

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Sulfo-egs crosslinker

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe