CID 84229

5-ethoxysalicylic acid

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

351
Patents

182.0579 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.065176 135.2
[M+Na]+ 205.047118 143.5
[M-H]- 181.050624 136.8
[M+NH4]+ 200.091723 154.1
[M+K]+ 221.021058 141.9
[M+H-H2O]+ 165.055160 130.1
[M+HCOO]- 227.056101 156.9
[M+CH3COO]- 241.071751 176.6
[M+Na-2H]- 203.032566 139.9
[M]+ 182.05735142 136.6
[M]- 182.05844858 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