CID 21076148

1-methanesulfonylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C6H11NO4S
SMILES
CS(=O)(=O)N1CCC(C1)C(=O)O
InChI
InChI=1S/C6H11NO4S/c1-12(10,11)7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKey
MNRXMPRVFBDVJX-UHFFFAOYSA-N
Compound name
1-methylsulfonylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

193.04088 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.048156 139.4
[M+Na]+ 216.030098 147.1
[M-H]- 192.033604 140.5
[M+NH4]+ 211.074703 159.0
[M+K]+ 232.004038 145.8
[M+H-H2O]+ 176.038140 134.6
[M+HCOO]- 238.039081 153.5
[M+CH3COO]- 252.054731 174.9
[M+Na-2H]- 214.015546 140.3
[M]+ 193.04033142 139.9
[M]- 193.04142858 139.9
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