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]+ 287.164176 168.3
[M+Na]+ 309.146118 173.9
[M-H]- 285.149624 171.8
[M+NH4]+ 304.190723 182.5
[M+K]+ 325.120058 169.0
[M+H-H2O]+ 269.154160 160.5
[M+HCOO]- 331.155101 188.9
[M+CH3COO]- 345.170751 197.3
[M+Na-2H]- 307.131566 171.8
[M]+ 286.15635142 170.0
[M]- 286.15744858 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.