CID 4161168

2,4-diphenyl-pentan-2-ol

Structural Information

Molecular Formula
C17H20O
SMILES
CC(CC(C)(C1=CC=CC=C1)O)C2=CC=CC=C2
InChI
InChI=1S/C17H20O/c1-14(15-9-5-3-6-10-15)13-17(2,18)16-11-7-4-8-12-16/h3-12,14,18H,13H2,1-2H3
InChIKey
HBKUXQBRVFQOJS-UHFFFAOYSA-N
Compound name
2,4-diphenylpentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.15141 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15869 157.3
[M+Na]+ 263.14063 162.4
[M-H]- 239.14413 162.1
[M+NH4]+ 258.18523 173.8
[M+K]+ 279.11457 158.3
[M+H-H2O]+ 223.14867 150.4
[M+HCOO]- 285.14961 176.8
[M+CH3COO]- 299.16526 191.7
[M+Na-2H]- 261.12608 162.8
[M]+ 240.15086 155.9
[M]- 240.15196 155.9
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.