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

99
Patents

139.04558 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.052856 124.4
[M+Na]+ 162.034798 133.9
[M-H]- 138.038304 128.6
[M+NH4]+ 157.079403 146.8
[M+K]+ 178.008738 131.0
[M+H-H2O]+ 122.042840 119.3
[M+HCOO]- 184.043781 144.6
[M+CH3COO]- 198.059431 175.5
[M+Na-2H]- 160.020246 128.2
[M]+ 139.04503142 124.7
[M]- 139.04612858 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