CID 75077

Methyl 2,5-dihydroxybenzoate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

12
References

1464
Patents

168.04225 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.04953 132.1
[M+Na]+ 191.03147 143.8
[M+NH4]+ 186.07607 139.1
[M+K]+ 207.00541 139.8
[M-H]- 167.03497 132.1
[M+Na-2H]- 189.01692 137.2
[M]+ 168.04170 133.5
[M]- 168.04280 133.5
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