CID 4114928

[3-(hydroxymethyl)-5-methoxyphenyl]methanol

Structural Information

Molecular Formula
C9H12O3
SMILES
COC1=CC(=CC(=C1)CO)CO
InChI
InChI=1S/C9H12O3/c1-12-9-3-7(5-10)2-8(4-9)6-11/h2-4,10-11H,5-6H2,1H3
InChIKey
QFWVNEBRTUUHIE-UHFFFAOYSA-N
Compound name
[3-(hydroxymethyl)-5-methoxyphenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

124
Patents

168.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 133.6
[M+Na]+ 191.067858 141.9
[M-H]- 167.071364 135.0
[M+NH4]+ 186.112463 153.2
[M+K]+ 207.041798 139.8
[M+H-H2O]+ 151.075900 128.5
[M+HCOO]- 213.076841 155.8
[M+CH3COO]- 227.092491 174.4
[M+Na-2H]- 189.053306 139.4
[M]+ 168.07809142 134.8
[M]- 168.07918858 134.8
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

patents stripe