CID 5362736

5-cyclohexadecenone

Structural Information

Molecular Formula
C16H28O
SMILES
C1CCCCCC(=O)CCC/C=C\CCCC1
InChI
InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2/b8-6-
InChIKey
ABRIMXGLNHCLIP-VURMDHGXSA-N
Compound name
(5Z)-cyclohexadec-5-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

3018
Patents

236.21402 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.22130 157.4
[M+Na]+ 259.20324 157.9
[M-H]- 235.20674 157.9
[M+NH4]+ 254.24784 171.2
[M+K]+ 275.17718 156.4
[M+H-H2O]+ 219.21128 154.1
[M+HCOO]- 281.21222 172.6
[M+CH3COO]- 295.22787 182.5
[M+Na-2H]- 257.18869 157.7
[M]+ 236.21347 144.4
[M]- 236.21457 144.4
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

No patent data available for this compound.