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

45
Patents

212.06847 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 142.6
[M+Na]+ 235.05769 150.2
[M-H]- 211.06119 143.9
[M+NH4]+ 230.10229 160.1
[M+K]+ 251.03163 149.0
[M+H-H2O]+ 195.06573 136.9
[M+HCOO]- 257.06667 164.1
[M+CH3COO]- 271.08232 181.8
[M+Na-2H]- 233.04314 146.7
[M]+ 212.06792 145.8
[M]- 212.06902 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