CID 529893

4-(3-hydroxypropyl)-2,6-dimethoxyphenol

Structural Information

Molecular Formula
C11H16O4
SMILES
COC1=CC(=CC(=C1O)OC)CCCO
InChI
InChI=1S/C11H16O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h6-7,12-13H,3-5H2,1-2H3
InChIKey
PHOPGVYKZWPIGA-UHFFFAOYSA-N
Compound name
4-(3-hydroxypropyl)-2,6-dimethoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

83
Patents

212.10486 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 145.7
[M+Na]+ 235.09408 157.4
[M+NH4]+ 230.13868 152.6
[M+K]+ 251.06802 152.2
[M-H]- 211.09758 146.1
[M+Na-2H]- 233.07953 150.3
[M]+ 212.10431 147.3
[M]- 212.10541 147.3
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