CID 131751842

1-benzoyl-2-pentadecanol

Structural Information

Molecular Formula
C22H36O2
SMILES
CCCCCCCCCCCCCC(CC(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-15-18-21(23)19-22(24)20-16-13-12-14-17-20/h12-14,16-17,21,23H,2-11,15,18-19H2,1H3
InChIKey
BHJLLBCJOQXMIH-UHFFFAOYSA-N
Compound name
3-hydroxy-1-phenylhexadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.27155 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.27883 189.0
[M+Na]+ 355.26077 198.2
[M+NH4]+ 350.30537 195.0
[M+K]+ 371.23471 189.8
[M-H]- 331.26427 189.7
[M+Na-2H]- 353.24622 192.0
[M]+ 332.27100 190.3
[M]- 332.27210 190.3
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.