CID 14361990

75794-20-6

Structural Information

Molecular Formula
C8H11NS
SMILES
CC1=C(C=CC(=C1)SC)N
InChI
InChI=1S/C8H11NS/c1-6-5-7(10-2)3-4-8(6)9/h3-5H,9H2,1-2H3
InChIKey
JKYNEUYDCSNWAO-UHFFFAOYSA-N
Compound name
2-methyl-4-methylsulfanylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

153.06122 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.068496 128.9
[M+Na]+ 176.050438 138.0
[M-H]- 152.053944 132.9
[M+NH4]+ 171.095043 150.7
[M+K]+ 192.024378 134.8
[M+H-H2O]+ 136.058480 123.6
[M+HCOO]- 198.059421 148.8
[M+CH3COO]- 212.075071 178.5
[M+Na-2H]- 174.035886 132.2
[M]+ 153.06067142 129.6
[M]- 153.06176858 129.6
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