CID 25198074

212204-36-9

Structural Information

Molecular Formula
C13H16ClNO4S
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)CS(=O)(=O)Cl
InChI
InChI=1S/C13H16ClNO4S/c14-20(17,18)10-12-7-4-8-15(12)13(16)19-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2/t12-/m0/s1
InChIKey
WFSXSKWRWQOOAY-LBPRGKRZSA-N
Compound name
benzyl (2S)-2-(chlorosulfonylmethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.04886 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.05614 169.7
[M+Na]+ 340.03808 179.7
[M+NH4]+ 335.08268 176.3
[M+K]+ 356.01202 174.3
[M-H]- 316.04158 170.2
[M+Na-2H]- 338.02353 174.0
[M]+ 317.04831 171.8
[M]- 317.04941 171.8
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.