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]+ 213.075746 141.9
[M+Na]+ 235.057688 150.4
[M-H]- 211.061194 143.6
[M+NH4]+ 230.102293 159.7
[M+K]+ 251.031628 149.3
[M+H-H2O]+ 195.065730 136.4
[M+HCOO]- 257.066671 163.4
[M+CH3COO]- 271.082321 183.1
[M+Na-2H]- 233.043136 145.4
[M]+ 212.06792142 145.5
[M]- 212.06901858 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.