CID 235509

2-amino-5-methoxybenzene-1-thiol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

350
Patents

155.04048 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.04776 128.1
[M+Na]+ 178.02970 137.5
[M-H]- 154.03320 132.3
[M+NH4]+ 173.07430 149.7
[M+K]+ 194.00364 135.0
[M+H-H2O]+ 138.03774 122.7
[M+HCOO]- 200.03868 148.5
[M+CH3COO]- 214.05433 177.5
[M+Na-2H]- 176.01515 131.9
[M]+ 155.03993 129.9
[M]- 155.04103 129.9
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