CID 3017696

Methyl 4-hydroxy-2,6-dimethoxybenzoate

Structural Information

Molecular Formula
C10H12O5
SMILES
COC1=CC(=CC(=C1C(=O)OC)OC)O
InChI
InChI=1S/C10H12O5/c1-13-7-4-6(11)5-8(14-2)9(7)10(12)15-3/h4-5,11H,1-3H3
InChIKey
LBECAGNUOFSIKD-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-2,6-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

212.06847 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07575 141.2
[M+Na]+ 235.05769 150.3
[M-H]- 211.06119 144.4
[M+NH4]+ 230.10229 159.9
[M+K]+ 251.03163 150.1
[M+H-H2O]+ 195.06573 135.6
[M+HCOO]- 257.06667 164.3
[M+CH3COO]- 271.08232 184.9
[M+Na-2H]- 233.04314 145.3
[M]+ 212.06792 146.7
[M]- 212.06902 146.7
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