CID 19018283

1,15-hexadecadien-3-one

Structural Information

Molecular Formula
C16H30O
SMILES
CCC(=O)CCCCCCCCCCCC=C
InChI
InChI=1S/C16H30O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16(17)4-2/h3H,1,4-15H2,2H3
InChIKey
LBQYBCGTGMIEJR-UHFFFAOYSA-N
Compound name
hexadec-15-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

238.22966 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.23694 165.0
[M+Na]+ 261.21888 168.5
[M-H]- 237.22238 163.6
[M+NH4]+ 256.26348 182.8
[M+K]+ 277.19282 165.3
[M+H-H2O]+ 221.22692 159.0
[M+HCOO]- 283.22786 185.2
[M+CH3COO]- 297.24351 198.5
[M+Na-2H]- 259.20433 165.5
[M]+ 238.22911 169.5
[M]- 238.23021 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe