CID 131751843

3-hydroxy-1-phenyl-1-heptadecanone

Structural Information

Molecular Formula
C23H38O2
SMILES
CCCCCCCCCCCCCCC(CC(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C23H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18,22,24H,2-12,16,19-20H2,1H3
InChIKey
ACRYOVXDWCIPCZ-UHFFFAOYSA-N
Compound name
3-hydroxy-1-phenylheptadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.28717 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.29445 194.9
[M+Na]+ 369.27639 195.5
[M-H]- 345.27989 194.4
[M+NH4]+ 364.32099 207.1
[M+K]+ 385.25033 190.5
[M+H-H2O]+ 329.28443 186.6
[M+HCOO]- 391.28537 211.8
[M+CH3COO]- 405.30102 215.4
[M+Na-2H]- 367.26184 192.4
[M]+ 346.28662 198.8
[M]- 346.28772 198.8
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.