CID 131751845

3-hydroxy-1-phenyl-1-octadecanone

Structural Information

Molecular Formula
C24H40O2
SMILES
CCCCCCCCCCCCCCCC(CC(=O)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/h14-16,18-19,23,25H,2-13,17,20-21H2,1H3
InChIKey
AESWPUVMLJHDRW-UHFFFAOYSA-N
Compound name
3-hydroxy-1-phenyloctadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.30283 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.310106 199.4
[M+Na]+ 383.292048 199.5
[M-H]- 359.295554 198.6
[M+NH4]+ 378.336653 210.9
[M+K]+ 399.265988 194.3
[M+H-H2O]+ 343.300090 190.9
[M+HCOO]- 405.301031 215.9
[M+CH3COO]- 419.316681 218.4
[M+Na-2H]- 381.277496 196.3
[M]+ 360.30228142 203.7
[M]- 360.30337858 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.