CID 138214

2-phenyl-pentan-2-ol

Structural Information

Molecular Formula
C11H16O
SMILES
CCCC(C)(C1=CC=CC=C1)O
InChI
InChI=1S/C11H16O/c1-3-9-11(2,12)10-7-5-4-6-8-10/h4-8,12H,3,9H2,1-2H3
InChIKey
YBQOTTAEVBHNEJ-UHFFFAOYSA-N
Compound name
2-phenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

319
Patents

164.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 137.0
[M+Na]+ 187.109338 143.6
[M-H]- 163.112844 139.1
[M+NH4]+ 182.153943 157.2
[M+K]+ 203.083278 141.3
[M+H-H2O]+ 147.117380 132.0
[M+HCOO]- 209.118321 158.1
[M+CH3COO]- 223.133971 177.1
[M+Na-2H]- 185.094786 144.3
[M]+ 164.11957142 136.8
[M]- 164.12066858 136.8
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