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]+ 332.07178 175.3
[M+Na]+ 354.05372 181.4
[M-H]- 330.05722 181.8
[M+NH4]+ 349.09832 191.8
[M+K]+ 370.02766 176.9
[M+H-H2O]+ 314.06176 169.6
[M+HCOO]- 376.06270 187.8
[M+CH3COO]- 390.07835 201.8
[M+Na-2H]- 352.03917 175.6
[M]+ 331.06395 178.8
[M]- 331.06505 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.