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]+ 185.07431 136.6
[M+Na]+ 207.05625 145.5
[M-H]- 183.05975 140.6
[M+NH4]+ 202.10085 156.6
[M+K]+ 223.03019 141.7
[M+H-H2O]+ 167.06429 131.1
[M+HCOO]- 229.06523 156.3
[M+CH3COO]- 243.08088 184.2
[M+Na-2H]- 205.04170 140.9
[M]+ 184.06648 136.0
[M]- 184.06758 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.