CID 70040

2-phenethylbenzyl alcohol

Structural Information

Molecular Formula
C15H16O
SMILES
C1=CC=C(C=C1)CCC2=CC=CC=C2CO
InChI
InChI=1S/C15H16O/c16-12-15-9-5-4-8-14(15)11-10-13-6-2-1-3-7-13/h1-9,16H,10-12H2
InChIKey
CPZRYQJPVUJHOS-UHFFFAOYSA-N
Compound name
[2-(2-phenylethyl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

503
Patents

212.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.127396 147.7
[M+Na]+ 235.109338 154.5
[M-H]- 211.112844 152.9
[M+NH4]+ 230.153943 165.7
[M+K]+ 251.083278 150.0
[M+H-H2O]+ 195.117380 140.8
[M+HCOO]- 257.118321 170.6
[M+CH3COO]- 271.133971 185.6
[M+Na-2H]- 233.094786 154.2
[M]+ 212.11957142 147.1
[M]- 212.12066858 147.1
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

patents stripe