CID 101951125

4-(hydroxymethyl)-3,5-dimethoxybenzoic acid

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=CC(=CC(=C1CO)OC)C(=O)O
InChI
InChI=1S/C10H12O5/c1-14-8-3-6(10(12)13)4-9(15-2)7(8)5-11/h3-4,11H,5H2,1-2H3,(H,12,13)
InChIKey
QYQSPOJSFCKUNG-UHFFFAOYSA-N
Compound name
4-(hydroxymethyl)-3,5-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.06847 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 141.9
[M+Na]+ 235.05769 150.4
[M-H]- 211.06119 143.6
[M+NH4]+ 230.10229 159.7
[M+K]+ 251.03163 149.3
[M+H-H2O]+ 195.06573 136.4
[M+HCOO]- 257.06667 163.4
[M+CH3COO]- 271.08232 183.1
[M+Na-2H]- 233.04314 145.4
[M]+ 212.06792 145.5
[M]- 212.06902 145.5
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

No patent data available for this compound.