CID 13408824

2-amino-4,5-dimethoxyphenol hydrochloride

Structural Information

Molecular Formula
C8H11NO3
SMILES
COC1=C(C=C(C(=C1)N)O)OC
InChI
InChI=1S/C8H11NO3/c1-11-7-3-5(9)6(10)4-8(7)12-2/h3-4,10H,9H2,1-2H3
InChIKey
DSRNAJDVFNETPG-UHFFFAOYSA-N
Compound name
2-amino-4,5-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

169.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 132.7
[M+Na]+ 192.063118 141.9
[M-H]- 168.066624 135.5
[M+NH4]+ 187.107723 152.7
[M+K]+ 208.037058 140.6
[M+H-H2O]+ 152.071160 127.3
[M+HCOO]- 214.072101 157.1
[M+CH3COO]- 228.087751 179.6
[M+Na-2H]- 190.048566 138.1
[M]+ 169.07335142 134.1
[M]- 169.07444858 134.1
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