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]+ 194.04816 139.6
[M+Na]+ 216.03010 147.6
[M-H]- 192.03360 140.6
[M+NH4]+ 211.07470 159.3
[M+K]+ 232.00404 145.8
[M+H-H2O]+ 176.03814 134.7
[M+HCOO]- 238.03908 154.7
[M+CH3COO]- 252.05473 174.1
[M+Na-2H]- 214.01555 141.5
[M]+ 193.04033 140.7
[M]- 193.04143 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.