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]+ 171.065176 132.1
[M+Na]+ 193.047118 141.2
[M-H]- 169.050624 132.7
[M+NH4]+ 188.091723 151.1
[M+K]+ 209.021058 139.0
[M+H-H2O]+ 153.055160 127.4
[M+HCOO]- 215.056101 153.3
[M+CH3COO]- 229.071751 172.4
[M+Na-2H]- 191.032566 137.3
[M]+ 170.05735142 133.0
[M]- 170.05844858 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

literature stripe

Patent stripe

patents stripe