CID 12838510

1,5-diphenylpentan-3-ol

Structural Information

Molecular Formula
C17H20O
SMILES
C1=CC=C(C=C1)CCC(CCC2=CC=CC=C2)O
InChI
InChI=1S/C17H20O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKey
YDNNOTNUWKPRNH-UHFFFAOYSA-N
Compound name
1,5-diphenylpentan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

156
Patents

240.15141 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15869 157.7
[M+Na]+ 263.14063 162.3
[M-H]- 239.14413 162.1
[M+NH4]+ 258.18523 174.0
[M+K]+ 279.11457 157.7
[M+H-H2O]+ 223.14867 150.2
[M+HCOO]- 285.14961 178.8
[M+CH3COO]- 299.16526 191.4
[M+Na-2H]- 261.12608 162.5
[M]+ 240.15086 156.7
[M]- 240.15196 156.7
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