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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	227.084876	148.8
[M+Na]+	249.066818	156.4
[M-H]-	225.070324	153.9
[M+NH4]+	244.111423	167.3
[M+K]+	265.040758	152.9
[M+H-H2O]+	209.074860	142.3
[M+HCOO]-	271.075801	165.7
[M+CH3COO]-	285.091451	185.2
[M+Na-2H]-	247.052266	151.0
[M]+	226.07705142	147.0
[M]-	226.07814858	147.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.