CID 78167

Undecanophenone

Structural Information

Molecular Formula
C17H26O
SMILES
CCCCCCCCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C17H26O/c1-2-3-4-5-6-7-8-12-15-17(18)16-13-10-9-11-14-16/h9-11,13-14H,2-8,12,15H2,1H3
InChIKey
LHJBFOGCFZHBAJ-UHFFFAOYSA-N
Compound name
1-phenylundecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

246.19836 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.20564 163.4
[M+Na]+ 269.18758 167.4
[M-H]- 245.19108 165.5
[M+NH4]+ 264.23218 180.6
[M+K]+ 285.16152 163.9
[M+H-H2O]+ 229.19562 156.3
[M+HCOO]- 291.19656 184.7
[M+CH3COO]- 305.21221 197.5
[M+Na-2H]- 267.17303 166.0
[M]+ 246.19781 166.3
[M]- 246.19891 166.3
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

patents stripe