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

121
Patents

168.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 133.6
[M+Na]+ 191.06786 141.9
[M-H]- 167.07136 135.0
[M+NH4]+ 186.11246 153.2
[M+K]+ 207.04180 139.8
[M+H-H2O]+ 151.07590 128.5
[M+HCOO]- 213.07684 155.8
[M+CH3COO]- 227.09249 174.4
[M+Na-2H]- 189.05331 139.4
[M]+ 168.07809 134.8
[M]- 168.07919 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