CID 82628

4-ethoxysalicylic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

413
Patents

182.0579 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe