CID 62540242

N-[(pyrrolidin-2-yl)methyl]benzenesulfonamide hydrochloride

Structural Information

Molecular Formula
C11H16N2O2S
SMILES
C1CC(NC1)CNS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H16N2O2S/c14-16(15,11-6-2-1-3-7-11)13-9-10-5-4-8-12-10/h1-3,6-7,10,12-13H,4-5,8-9H2
InChIKey
ZSTNPSFKCXNSSX-UHFFFAOYSA-N
Compound name
N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

240.09325 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10053 152.8
[M+Na]+ 263.08247 158.6
[M-H]- 239.08597 156.4
[M+NH4]+ 258.12707 169.9
[M+K]+ 279.05641 154.4
[M+H-H2O]+ 223.09051 146.0
[M+HCOO]- 285.09145 168.5
[M+CH3COO]- 299.10710 185.2
[M+Na-2H]- 261.06792 155.8
[M]+ 240.09270 150.0
[M]- 240.09380 150.0
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