CID 46946879

Benzyl (3s)-3-(chlorosulfonyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H14ClNO4S
SMILES
C1CN(C[C@H]1S(=O)(=O)Cl)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C12H14ClNO4S/c13-19(16,17)11-6-7-14(8-11)12(15)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m0/s1
InChIKey
KGTKAEIBOSEJKH-NSHDSACASA-N
Compound name
benzyl (3S)-3-chlorosulfonylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

303.0332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04048 165.4
[M+Na]+ 326.02242 175.7
[M+NH4]+ 321.06702 172.1
[M+K]+ 341.99636 170.5
[M-H]- 302.02592 166.0
[M+Na-2H]- 324.00787 170.0
[M]+ 303.03265 167.5
[M]- 303.03375 167.5
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