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 190.4
[M+Na]+ 355.26077 191.4
[M-H]- 331.26427 190.1
[M+NH4]+ 350.30537 203.1
[M+K]+ 371.23471 186.7
[M+H-H2O]+ 315.26881 182.3
[M+HCOO]- 377.26975 207.6
[M+CH3COO]- 391.28540 212.5
[M+Na-2H]- 353.24622 188.4
[M]+ 332.27100 194.0
[M]- 332.27210 194.0
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.