CID 12631859

2-amino-3-methoxybenzenethiol

Structural Information

Molecular Formula
C7H9NOS
SMILES
COC1=C(C(=CC=C1)S)N
InChI
InChI=1S/C7H9NOS/c1-9-5-3-2-4-6(10)7(5)8/h2-4,10H,8H2,1H3
InChIKey
KKXFKDUISHGLNF-UHFFFAOYSA-N
Compound name
2-amino-3-methoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

155.04048 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 129.1
[M+Na]+ 178.02970 141.6
[M+NH4]+ 173.07430 138.8
[M+K]+ 194.00364 133.5
[M-H]- 154.03320 132.5
[M+Na-2H]- 176.01515 135.9
[M]+ 155.03993 132.3
[M]- 155.04103 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe