CID 13430082

4-ethoxy-3-hydroxybenzoic acid

Structural Information

Molecular Formula
C9H10O4
SMILES
CCOC1=C(C=C(C=C1)C(=O)O)O
InChI
InChI=1S/C9H10O4/c1-2-13-8-4-3-6(9(11)12)5-7(8)10/h3-5,10H,2H2,1H3,(H,11,12)
InChIKey
JKWUXAUMKMGUMB-UHFFFAOYSA-N
Compound name
4-ethoxy-3-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

455
Patents

182.0579 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.06518 135.2
[M+Na]+ 205.04712 143.5
[M-H]- 181.05062 136.8
[M+NH4]+ 200.09172 154.1
[M+K]+ 221.02106 141.9
[M+H-H2O]+ 165.05516 130.1
[M+HCOO]- 227.05610 156.9
[M+CH3COO]- 241.07175 176.6
[M+Na-2H]- 203.03257 139.9
[M]+ 182.05735 136.6
[M]- 182.05845 136.6
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