CID 43100118

4-(1-aminoethyl)-n-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)NC)N
InChI
InChI=1S/C9H14N2O2S/c1-7(10)8-3-5-9(6-4-8)14(12,13)11-2/h3-7,11H,10H2,1-2H3
InChIKey
ZGVGMKKEMKWSFC-UHFFFAOYSA-N
Compound name
4-(1-aminoethyl)-N-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0776 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 146.1
[M+Na]+ 237.06682 155.2
[M+NH4]+ 232.11142 153.3
[M+K]+ 253.04076 149.3
[M-H]- 213.07032 147.5
[M+Na-2H]- 235.05227 151.0
[M]+ 214.07705 148.0
[M]- 214.07815 148.0
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

No patent data available for this compound.