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

16
Patents

193.04088 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04816 139.4
[M+Na]+ 216.03010 147.1
[M-H]- 192.03360 140.5
[M+NH4]+ 211.07470 159.0
[M+K]+ 232.00404 145.8
[M+H-H2O]+ 176.03814 134.6
[M+HCOO]- 238.03908 153.5
[M+CH3COO]- 252.05473 174.9
[M+Na-2H]- 214.01555 140.3
[M]+ 193.04033 139.9
[M]- 193.04143 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