CID 80148

Decanophenone

Structural Information

Molecular Formula
C16H24O
SMILES
CCCCCCCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C16H24O/c1-2-3-4-5-6-7-11-14-16(17)15-12-9-8-10-13-15/h8-10,12-13H,2-7,11,14H2,1H3
InChIKey
QQXJNLYVPPBERR-UHFFFAOYSA-N
Compound name
1-phenyldecan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1373
Patents

232.18271 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.18999 158.8
[M+Na]+ 255.17193 163.2
[M-H]- 231.17543 161.1
[M+NH4]+ 250.21653 176.6
[M+K]+ 271.14587 159.9
[M+H-H2O]+ 215.17997 151.9
[M+HCOO]- 277.18091 180.4
[M+CH3COO]- 291.19656 194.5
[M+Na-2H]- 253.15738 161.9
[M]+ 232.18216 161.3
[M]- 232.18326 161.3
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