CID 94075007

1605250-53-0

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
C1CN(C[C@H]1N)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/m0/s1
InChIKey
ABNRKDROCBKFEH-VIFPVBQESA-N
Compound name
(3S)-1-(benzenesulfonyl)pyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.0776 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 148.7
[M+Na]+ 249.06682 158.3
[M+NH4]+ 244.11142 156.4
[M+K]+ 265.04076 153.3
[M-H]- 225.07032 150.8
[M+Na-2H]- 247.05227 154.2
[M]+ 226.07705 150.9
[M]- 226.07815 150.9
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.