CID 131751844

1-hydroxy-1-phenyl-3-octadecanone

Structural Information

Molecular Formula
C24H40O2
SMILES
CCCCCCCCCCCCCCCC(=O)CC(C1=CC=CC=C1)O
InChI
InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-23(25)21-24(26)22-18-15-14-16-19-22/h14-16,18-19,24,26H,2-13,17,20-21H2,1H3
InChIKey
XVDDTGFGTWMISV-UHFFFAOYSA-N
Compound name
1-hydroxy-1-phenyloctadecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.30283 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.31011 197.9
[M+Na]+ 383.29205 206.6
[M+NH4]+ 378.33665 203.5
[M+K]+ 399.26599 197.8
[M-H]- 359.29555 198.5
[M+Na-2H]- 381.27750 200.3
[M]+ 360.30228 199.1
[M]- 360.30338 199.1
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

No patent data available for this compound.