CID 13589902

2-amino-4,5-dimethoxybenzenethiol

Structural Information

Molecular Formula
C8H11NO2S
SMILES
COC1=C(C=C(C(=C1)N)S)OC
InChI
InChI=1S/C8H11NO2S/c1-10-6-3-5(9)8(12)4-7(6)11-2/h3-4,12H,9H2,1-2H3
InChIKey
FWNRXBFADOUSBR-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethoxybenzenethiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

17
Patents

185.05106 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.05834 135.7
[M+Na]+ 208.04028 145.3
[M-H]- 184.04378 140.0
[M+NH4]+ 203.08488 156.3
[M+K]+ 224.01422 143.1
[M+H-H2O]+ 168.04832 130.1
[M+HCOO]- 230.04926 156.0
[M+CH3COO]- 244.06491 183.8
[M+Na-2H]- 206.02573 138.4
[M]+ 185.05051 139.6
[M]- 185.05161 139.6
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