CID 165980331

En300-37272148

Structural Information

Molecular Formula
C6H11NO4S
SMILES
C1CC(=O)N(C1)CCS(=O)(=O)O
InChI
InChI=1S/C6H11NO4S/c8-6-2-1-3-7(6)4-5-12(9,10)11/h1-5H2,(H,9,10,11)
InChIKey
DRLYBLNKWNBSID-UHFFFAOYSA-N
Compound name
2-(2-oxopyrrolidin-1-yl)ethanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.04088 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.048156 139.6
[M+Na]+ 216.030098 147.6
[M-H]- 192.033604 140.6
[M+NH4]+ 211.074703 159.3
[M+K]+ 232.004038 145.8
[M+H-H2O]+ 176.038140 134.7
[M+HCOO]- 238.039081 154.7
[M+CH3COO]- 252.054731 174.1
[M+Na-2H]- 214.015546 141.5
[M]+ 193.04033142 140.7
[M]- 193.04142858 140.7
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

No patent data available for this compound.