CID 78016

3,5-dihydroxy-4-methoxybenzoic acid

Structural Information

Molecular Formula
C8H8O5
SMILES
COC1=C(C=C(C=C1O)C(=O)O)O
InChI
InChI=1S/C8H8O5/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,9-10H,1H3,(H,11,12)
InChIKey
UBXDWYFLYYJQFR-UHFFFAOYSA-N
Compound name
3,5-dihydroxy-4-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

41
References

346
Patents

184.03717 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.044446 133.4
[M+Na]+ 207.026388 142.4
[M-H]- 183.029894 134.1
[M+NH4]+ 202.070993 151.6
[M+K]+ 223.000328 140.8
[M+H-H2O]+ 167.034430 128.6
[M+HCOO]- 229.035371 154.0
[M+CH3COO]- 243.051021 174.7
[M+Na-2H]- 205.011836 137.4
[M]+ 184.03662142 134.4
[M]- 184.03771858 134.4
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