CID 534634

8-cyclohexadecen-1-one

Structural Information

Molecular Formula
C16H28O
SMILES
C1CCCC=CCCCCCCC(=O)CCC1
InChI
InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-2H,3-15H2
InChIKey
ZGEHHVDYDNXYMW-UHFFFAOYSA-N
Compound name
cyclohexadec-8-en-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

1797
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

literature stripe

Patent stripe

patents stripe