CID 3070889

2,5-bis(2-hydroxypropoxy)-alpha-methylbenzenemethanol

Structural Information

Molecular Formula
C14H22O5
SMILES
CC(COC1=CC(=C(C=C1)OCC(C)O)C(C)O)O
InChI
InChI=1S/C14H22O5/c1-9(15)7-18-12-4-5-14(19-8-10(2)16)13(6-12)11(3)17/h4-6,9-11,15-17H,7-8H2,1-3H3
InChIKey
DXUICEGMIIVGOI-UHFFFAOYSA-N
Compound name
1-[3-(1-hydroxyethyl)-4-(2-hydroxypropoxy)phenoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14673 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15401 162.8
[M+Na]+ 293.13595 171.4
[M+NH4]+ 288.18055 167.8
[M+K]+ 309.10989 168.6
[M-H]- 269.13945 161.3
[M+Na-2H]- 291.12140 164.6
[M]+ 270.14618 163.2
[M]- 270.14728 163.2
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

No patent data available for this compound.