CID 24694006

3-(2-hydroxyethoxy)-4-methoxybenzoic acid

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=C(C=C(C=C1)C(=O)O)OCCO
InChI
InChI=1S/C10H12O5/c1-14-8-3-2-7(10(12)13)6-9(8)15-5-4-11/h2-3,6,11H,4-5H2,1H3,(H,12,13)
InChIKey
CDXYUUNKNSSDDU-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxy)-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

212.06847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.075746 142.6
[M+Na]+ 235.057688 150.2
[M-H]- 211.061194 143.9
[M+NH4]+ 230.102293 160.1
[M+K]+ 251.031628 149.0
[M+H-H2O]+ 195.065730 136.9
[M+HCOO]- 257.066671 164.1
[M+CH3COO]- 271.082321 181.8
[M+Na-2H]- 233.043136 146.7
[M]+ 212.06792142 145.8
[M]- 212.06901858 145.8
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