CID 2776839

2,6-dimethoxybenzyl alcohol

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

154
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 133.3
[M+Na]+ 191.06786 146.2
[M+NH4]+ 186.11246 141.5
[M+K]+ 207.04180 140.3
[M-H]- 167.07136 134.8
[M+Na-2H]- 189.05331 139.8
[M]+ 168.07809 135.5
[M]- 168.07919 135.5
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