CID 3018736

4-phenylpentan-2-ol

Structural Information

Molecular Formula
C11H16O
SMILES
CC(CC(C)O)C1=CC=CC=C1
InChI
InChI=1S/C11H16O/c1-9(8-10(2)12)11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3
InChIKey
LPZYYWRJFDZTJI-UHFFFAOYSA-N
Compound name
4-phenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

81
Patents

164.12012 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 137.7
[M+Na]+ 187.109338 143.3
[M-H]- 163.112844 139.6
[M+NH4]+ 182.153943 157.6
[M+K]+ 203.083278 141.5
[M+H-H2O]+ 147.117380 132.2
[M+HCOO]- 209.118321 158.3
[M+CH3COO]- 223.133971 178.5
[M+Na-2H]- 185.094786 141.8
[M]+ 164.11957142 136.6
[M]- 164.12066858 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe