CID 10584034

Methyl 4-(hydroxymethyl)-3-methoxybenzoate

Structural Information

Molecular Formula
C10H12O4
SMILES
COC1=C(C=CC(=C1)C(=O)OC)CO
InChI
InChI=1S/C10H12O4/c1-13-9-5-7(10(12)14-2)3-4-8(9)6-11/h3-5,11H,6H2,1-2H3
InChIKey
DQEZWNXDNYVFND-UHFFFAOYSA-N
Compound name
methyl 4-(hydroxymethyl)-3-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

196.07356 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.080836 139.3
[M+Na]+ 219.062778 147.7
[M-H]- 195.066284 142.2
[M+NH4]+ 214.107383 158.4
[M+K]+ 235.036718 146.8
[M+H-H2O]+ 179.070820 133.8
[M+HCOO]- 241.071761 162.2
[M+CH3COO]- 255.087411 181.5
[M+Na-2H]- 217.048226 144.0
[M]+ 196.07301142 142.9
[M]- 196.07410858 142.9
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