CID 96602

3,4,5-trimethoxyanthranilic 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
2
Annotation Hits

0
References

162
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 145.8
[M+Na]+ 250.06860 154.7
[M-H]- 226.07210 148.6
[M+NH4]+ 245.11320 163.3
[M+K]+ 266.04254 154.1
[M+H-H2O]+ 210.07664 139.8
[M+HCOO]- 272.07758 169.1
[M+CH3COO]- 286.09323 191.5
[M+Na-2H]- 248.05405 148.3
[M]+ 227.07883 149.8
[M]- 227.07993 149.8
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