CID 22397448

4-amino-3-ethoxybenzoic acid

Structural Information

Molecular Formula
C9H11NO3
SMILES
CCOC1=C(C=CC(=C1)C(=O)O)N
InChI
InChI=1S/C9H11NO3/c1-2-13-8-5-6(9(11)12)3-4-7(8)10/h3-5H,2,10H2,1H3,(H,11,12)
InChIKey
ZSXBMWHEQHCCRP-UHFFFAOYSA-N
Compound name
4-amino-3-ethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

181.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 136.8
[M+Na]+ 204.063118 144.6
[M-H]- 180.066624 139.1
[M+NH4]+ 199.107723 155.8
[M+K]+ 220.037058 142.9
[M+H-H2O]+ 164.071160 131.1
[M+HCOO]- 226.072101 160.1
[M+CH3COO]- 240.087751 181.4
[M+Na-2H]- 202.048566 141.0
[M]+ 181.07335142 136.8
[M]- 181.07444858 136.8
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

patents stripe