CID 16097842

3,5-dihydroxy-4-methoxybenzyl alcohol

Structural Information

Molecular Formula
C8H10O4
SMILES
COC1=C(C=C(C=C1O)CO)O
InChI
InChI=1S/C8H10O4/c1-12-8-6(10)2-5(4-9)3-7(8)11/h2-3,9-11H,4H2,1H3
InChIKey
CCZSPEMGEIWYHD-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-methoxybenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

130
Patents

170.0579 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06518 132.1
[M+Na]+ 193.04712 141.2
[M-H]- 169.05062 132.7
[M+NH4]+ 188.09172 151.1
[M+K]+ 209.02106 139.0
[M+H-H2O]+ 153.05516 127.4
[M+HCOO]- 215.05610 153.3
[M+CH3COO]- 229.07175 172.4
[M+Na-2H]- 191.03257 137.3
[M]+ 170.05735 133.0
[M]- 170.05845 133.0
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

No patent data available for this compound.