CID 116519

Beta-hydroxyethylbenzyl ether

Structural Information

Molecular Formula
C18H22O3
SMILES
C1=CC(=CC(=C1)COCC2=CC=CC(=C2)CCO)CCO
InChI
InChI=1S/C18H22O3/c19-9-7-15-3-1-5-17(11-15)13-21-14-18-6-2-4-16(12-18)8-10-20/h1-6,11-12,19-20H,7-10,13-14H2
InChIKey
BACOQDUASGIAJY-UHFFFAOYSA-N
Compound name
2-[3-[[3-(2-hydroxyethyl)phenyl]methoxymethyl]phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1569 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16418 168.3
[M+Na]+ 309.14612 173.9
[M-H]- 285.14962 171.8
[M+NH4]+ 304.19072 182.5
[M+K]+ 325.12006 169.0
[M+H-H2O]+ 269.15416 160.5
[M+HCOO]- 331.15510 188.9
[M+CH3COO]- 345.17075 197.3
[M+Na-2H]- 307.13157 171.8
[M]+ 286.15635 170.0
[M]- 286.15745 170.0
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.