CID 131751977

3-hydroxy-1-phenyl-1-eicosanone

Structural Information

Molecular Formula
C26H44O2
SMILES
CCCCCCCCCCCCCCCCCC(CC(=O)C1=CC=CC=C1)O
InChI
InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21,25,27H,2-15,19,22-23H2,1H3
InChIKey
HMNUIWPZZDBRSS-UHFFFAOYSA-N
Compound name
3-hydroxy-1-phenylicosan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.33414 Da
Monoisotopic Mass

9.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.34142 208.3
[M+Na]+ 411.32336 207.5
[M-H]- 387.32686 207.1
[M+NH4]+ 406.36796 218.6
[M+K]+ 427.29730 201.9
[M+H-H2O]+ 371.33140 199.4
[M+HCOO]- 433.33234 224.1
[M+CH3COO]- 447.34799 224.2
[M+Na-2H]- 409.30881 204.1
[M]+ 388.33359 213.2
[M]- 388.33469 213.2
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.