CID 2776839

(2,6-dimethoxyphenyl)methanol

Structural Information

Molecular Formula
C9H12O3
SMILES
COC1=C(C(=CC=C1)OC)CO
InChI
InChI=1S/C9H12O3/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5,10H,6H2,1-2H3
InChIKey
CHBOWGWPYAAYFF-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

166
Patents

168.07864 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 132.8
[M+Na]+ 191.06786 141.5
[M-H]- 167.07136 135.7
[M+NH4]+ 186.11246 153.2
[M+K]+ 207.04180 140.4
[M+H-H2O]+ 151.07590 127.5
[M+HCOO]- 213.07684 156.6
[M+CH3COO]- 227.09249 177.0
[M+Na-2H]- 189.05331 139.2
[M]+ 168.07809 136.0
[M]- 168.07919 136.0
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