CID 611144

Methyl 2-amino-4,5-dimethoxybenzoate

Structural Information

Molecular Formula
C10H13NO4
SMILES
COC1=C(C=C(C(=C1)C(=O)OC)N)OC
InChI
InChI=1S/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3
InChIKey
QQFHCCQSCQBKBG-UHFFFAOYSA-N
Compound name
methyl 2-amino-4,5-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

499
Patents

211.08446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 144.3
[M+Na]+ 234.07368 155.4
[M+NH4]+ 229.11828 150.9
[M+K]+ 250.04762 151.2
[M-H]- 210.07718 145.3
[M+Na-2H]- 232.05913 149.0
[M]+ 211.08391 145.9
[M]- 211.08501 145.9
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