CID 3032028

4-(aminomethyl)-n,n-dimethylbenzene-1-sulfonamide hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

214.0776 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 144.7
[M+Na]+ 237.06682 152.2
[M-H]- 213.07032 149.5
[M+NH4]+ 232.11142 163.7
[M+K]+ 253.04076 150.1
[M+H-H2O]+ 197.07486 138.2
[M+HCOO]- 259.07580 164.8
[M+CH3COO]- 273.09145 191.6
[M+Na-2H]- 235.05227 148.7
[M]+ 214.07705 146.7
[M]- 214.07815 146.7
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