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 199.4
[M+Na]+ 383.29205 199.5
[M-H]- 359.29555 198.6
[M+NH4]+ 378.33665 210.9
[M+K]+ 399.26599 194.3
[M+H-H2O]+ 343.30009 190.9
[M+HCOO]- 405.30103 215.9
[M+CH3COO]- 419.31668 218.4
[M+Na-2H]- 381.27750 196.3
[M]+ 360.30228 203.7
[M]- 360.30338 203.7
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

No patent data available for this compound.