CID 738302

66840-71-9

Structural Information

Molecular Formula
C9H14N2O2S
SMILES
CC1=CC=C(C=C1)NS(=O)(=O)N(C)C
InChI
InChI=1S/C9H14N2O2S/c1-8-4-6-9(7-5-8)10-14(12,13)11(2)3/h4-7,10H,1-3H3
InChIKey
UDCDOJQOXWCCSD-UHFFFAOYSA-N
Compound name
1-(dimethylsulfamoylamino)-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

10
References

411
Patents

214.0776 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08488 144.3
[M+Na]+ 237.06682 151.8
[M-H]- 213.07032 149.7
[M+NH4]+ 232.11142 163.6
[M+K]+ 253.04076 150.1
[M+H-H2O]+ 197.07486 137.8
[M+HCOO]- 259.07580 165.1
[M+CH3COO]- 273.09145 192.2
[M+Na-2H]- 235.05227 149.3
[M]+ 214.07705 147.3
[M]- 214.07815 147.3
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