CID 121552896

Rac-benzyl n-[(1r,3s)-3-[(chlorosulfonyl)methyl]cyclopentyl]carbamate

Structural Information

Molecular Formula
C14H18ClNO4S
SMILES
C1C[C@@H](C[C@@H]1CS(=O)(=O)Cl)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H18ClNO4S/c15-21(18,19)10-12-6-7-13(8-12)16-14(17)20-9-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2,(H,16,17)/t12-,13+/m1/s1
InChIKey
OMNJXTVZOXPPOW-OLZOCXBDSA-N
Compound name
benzyl N-[(1S,3R)-3-(chlorosulfonylmethyl)cyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0645 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.071776 175.3
[M+Na]+ 354.053718 181.4
[M-H]- 330.057224 181.8
[M+NH4]+ 349.098323 191.8
[M+K]+ 370.027658 176.9
[M+H-H2O]+ 314.061760 169.6
[M+HCOO]- 376.062701 187.8
[M+CH3COO]- 390.078351 201.8
[M+Na-2H]- 352.039166 175.6
[M]+ 331.06395142 178.8
[M]- 331.06504858 178.8
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.