CID 53794801

4-(methylamino)benzene-1-thiol

Structural Information

Molecular Formula
C7H9NS
SMILES
CNC1=CC=C(C=C1)S
InChI
InChI=1S/C7H9NS/c1-8-6-2-4-7(9)5-3-6/h2-5,8-9H,1H3
InChIKey
FEIHCAFTYDPAHR-UHFFFAOYSA-N
Compound name
4-(methylamino)benzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

139.04558 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05286 125.6
[M+Na]+ 162.03480 138.5
[M+NH4]+ 157.07940 136.0
[M+K]+ 178.00874 129.5
[M-H]- 138.03830 129.7
[M+Na-2H]- 160.02025 133.6
[M]+ 139.04503 129.2
[M]- 139.04613 129.2
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