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]+ 170.08118 132.7
[M+Na]+ 192.06312 141.9
[M-H]- 168.06662 135.5
[M+NH4]+ 187.10772 152.7
[M+K]+ 208.03706 140.6
[M+H-H2O]+ 152.07116 127.3
[M+HCOO]- 214.07210 157.1
[M+CH3COO]- 228.08775 179.6
[M+Na-2H]- 190.04857 138.1
[M]+ 169.07335 134.1
[M]- 169.07445 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.