CID 145915765

2402829-57-4

Structural Information

Molecular Formula
C14H18ClNO4S
SMILES
CC1(CC(CN1C(=O)OCC2=CC=CC=C2)S(=O)(=O)Cl)C
InChI
InChI=1S/C14H18ClNO4S/c1-14(2)8-12(21(15,18)19)9-16(14)13(17)20-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKey
XIFFCJBBEAXAGB-UHFFFAOYSA-N
Compound name
benzyl 4-chlorosulfonyl-2,2-dimethylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.0645 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.07178 173.3
[M+Na]+ 354.05372 183.5
[M+NH4]+ 349.09832 181.1
[M+K]+ 370.02766 176.5
[M-H]- 330.05722 173.7
[M+Na-2H]- 352.03917 178.9
[M]+ 331.06395 175.6
[M]- 331.06505 175.6
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.