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]+ 271.154006 163.3
[M+Na]+ 293.135948 167.9
[M-H]- 269.139454 162.5
[M+NH4]+ 288.180553 177.6
[M+K]+ 309.109888 166.6
[M+H-H2O]+ 253.143990 157.2
[M+HCOO]- 315.144931 179.7
[M+CH3COO]- 329.160581 194.2
[M+Na-2H]- 291.121396 162.2
[M]+ 270.14618142 165.4
[M]- 270.14727858 165.4
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.