CID 535805

4-(pyrrolidine-1-sulfonyl)aniline

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H14N2O2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2
InChIKey
JTIWXDLCUZTDFM-UHFFFAOYSA-N
Compound name
4-pyrrolidin-1-ylsulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

282
Patents

226.0776 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 148.8
[M+Na]+ 249.06682 156.4
[M-H]- 225.07032 153.9
[M+NH4]+ 244.11142 167.3
[M+K]+ 265.04076 152.9
[M+H-H2O]+ 209.07486 142.3
[M+HCOO]- 271.07580 165.7
[M+CH3COO]- 285.09145 185.2
[M+Na-2H]- 247.05227 151.0
[M]+ 226.07705 147.0
[M]- 226.07815 147.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe