CID 130737728

1935396-21-6

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CC1=C(C=CC(=C1)N)S(=N)(=O)C
InChI
InChI=1S/C8H12N2OS/c1-6-5-7(9)3-4-8(6)12(2,10)11/h3-5,10H,9H2,1-2H3
InChIKey
FXSLWUYWOIPFLB-UHFFFAOYSA-N
Compound name
3-methyl-4-(methylsulfonimidoyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.074306 136.6
[M+Na]+ 207.056248 145.5
[M-H]- 183.059754 140.6
[M+NH4]+ 202.100853 156.6
[M+K]+ 223.030188 141.7
[M+H-H2O]+ 167.064290 131.1
[M+HCOO]- 229.065231 156.3
[M+CH3COO]- 243.080881 184.2
[M+Na-2H]- 205.041696 140.9
[M]+ 184.06648142 136.0
[M]- 184.06757858 136.0
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.