CID 3022592

93841-09-9

Structural Information

Molecular Formula
C11H18O10S2
SMILES
C=C(CC(=O)OCCCS(=O)(=O)O)C(=O)OCCCS(=O)(=O)O
InChI
InChI=1S/C11H18O10S2/c1-9(11(13)21-5-3-7-23(17,18)19)8-10(12)20-4-2-6-22(14,15)16/h1-8H2,(H,14,15,16)(H,17,18,19)
InChIKey
BYLRZCIZXYKLQL-UHFFFAOYSA-N
Compound name
3-[3-(3-sulfopropoxycarbonyl)but-3-enoyloxy]propane-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1122
Patents

374.03415 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.04143 177.5
[M+Na]+ 397.02337 180.1
[M-H]- 373.02687 173.0
[M+NH4]+ 392.06797 189.5
[M+K]+ 412.99731 177.3
[M+H-H2O]+ 357.03141 171.5
[M+HCOO]- 419.03235 195.4
[M+CH3COO]- 433.04800 202.4
[M+Na-2H]- 395.00882 177.8
[M]+ 374.03360 185.3
[M]- 374.03470 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe