CID 96602

2-amino-3,4,5-trimethoxybenzoic acid

Structural Information

Molecular Formula
C10H13NO5
SMILES
COC1=C(C(=C(C(=C1)C(=O)O)N)OC)OC
InChI
InChI=1S/C10H13NO5/c1-14-6-4-5(10(12)13)7(11)9(16-3)8(6)15-2/h4H,11H2,1-3H3,(H,12,13)
InChIKey
JSHSRQCOCMIIPA-UHFFFAOYSA-N
Compound name
2-amino-3,4,5-trimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

227.07938 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08666 147.4
[M+Na]+ 250.06860 157.8
[M+NH4]+ 245.11320 153.1
[M+K]+ 266.04254 154.7
[M-H]- 226.07210 147.5
[M+Na-2H]- 248.05405 150.8
[M]+ 227.07883 148.5
[M]- 227.07993 148.5
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