CID 334527

Disuccinimidyl tartrate

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₁₀

SMILES

C1CC(=O)N(C1=O)OC(=O)C(C(C(=O)ON2C(=O)CCC2=O)O)O

InChI

InChI=1S/C12H12N2O10/c15-5-1-2-6(16)13(5)23-11(21)9(19)10(20)12(22)24-14-7(17)3-4-8(14)18/h9-10,19-20H,1-4H2

InChIKey

NXVYSVARUKNFNF-UHFFFAOYSA-N

Compound name

bis(2,5-dioxopyrrolidin-1-yl) 2,3-dihydroxybutanedioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 19
References: 7153
Patents: 344.0492 Da
Monoisotopic Mass: -3.0
XlogP (predicted)

Profile

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]+	345.056476	164.8
[M+Na]+	367.038418	169.2
[M-H]-	343.041924	166.5
[M+NH4]+	362.083023	176.4
[M+K]+	383.012358	170.5
[M+H-H2O]+	327.046460	159.0
[M+HCOO]-	389.047401	178.9
[M+CH3COO]-	403.063051	203.2
[M+Na-2H]-	365.023866	159.4
[M]+	344.04865142	165.5
[M]-	344.04974858	165.5

Literature stripe

literature stripe

Patent stripe

patents stripe