CID 10678313

2-amino-6-methylbenzene-1-thiol

Structural Information

Molecular Formula
C7H9NS
SMILES
CC1=C(C(=CC=C1)N)S
InChI
InChI=1S/C7H9NS/c1-5-3-2-4-6(8)7(5)9/h2-4,9H,8H2,1H3
InChIKey
DJXMZLKYKIVBRU-UHFFFAOYSA-N
Compound name
2-amino-6-methylbenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

139.04558 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.05286 124.4
[M+Na]+ 162.03480 133.9
[M-H]- 138.03830 128.6
[M+NH4]+ 157.07940 146.8
[M+K]+ 178.00874 131.0
[M+H-H2O]+ 122.04284 119.3
[M+HCOO]- 184.04378 144.6
[M+CH3COO]- 198.05943 175.5
[M+Na-2H]- 160.02025 128.2
[M]+ 139.04503 124.7
[M]- 139.04613 124.7
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