CID 4962862

2-amino-5-ethoxy-4-methoxybenzoic acid

Structural Information

Molecular Formula
C10H13NO4
SMILES
CCOC1=C(C=C(C(=C1)C(=O)O)N)OC
InChI
InChI=1S/C10H13NO4/c1-3-15-9-4-6(10(12)13)7(11)5-8(9)14-2/h4-5H,3,11H2,1-2H3,(H,12,13)
InChIKey
LMLMBWMYHXXDAN-UHFFFAOYSA-N
Compound name
2-amino-5-ethoxy-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
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 143.7
[M+Na]+ 234.07368 151.9
[M-H]- 210.07718 146.2
[M+NH4]+ 229.11828 161.7
[M+K]+ 250.04762 150.6
[M+H-H2O]+ 194.08172 137.8
[M+HCOO]- 256.08266 166.9
[M+CH3COO]- 270.09831 187.9
[M+Na-2H]- 232.05913 146.8
[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