CID 287064

Methyl 3,4-dihydroxybenzoate

Structural Information

Molecular Formula
C8H8O4
SMILES
COC(=O)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C8H8O4/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4,9-10H,1H3
InChIKey
CUFLZUDASVUNOE-UHFFFAOYSA-N
Compound name
methyl 3,4-dihydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

48
References

927
Patents

168.04225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 130.8
[M+Na]+ 191.03147 139.6
[M-H]- 167.03497 132.6
[M+NH4]+ 186.07607 150.3
[M+K]+ 207.00541 138.2
[M+H-H2O]+ 151.03951 125.8
[M+HCOO]- 213.04045 152.8
[M+CH3COO]- 227.05610 172.9
[M+Na-2H]- 189.01692 136.0
[M]+ 168.04170 131.7
[M]- 168.04280 131.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe