CID 6442030

Einecs 276-835-1

Structural Information

Molecular Formula
C17H30O
SMILES
CC1C/C=C/CCCCCCCCCCC(=O)C1
InChI
InChI=1S/C17H30O/c1-16-13-11-9-7-5-3-2-4-6-8-10-12-14-17(18)15-16/h9,11,16H,2-8,10,12-15H2,1H3/b11-9+
InChIKey
GBCSDBVICWZSEG-PKNBQFBNSA-N
Compound name
(5E)-3-methylcyclohexadec-5-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

250.22966 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.236936 161.4
[M+Na]+ 273.218878 162.5
[M-H]- 249.222384 162.2
[M+NH4]+ 268.263483 175.1
[M+K]+ 289.192818 160.7
[M+H-H2O]+ 233.226920 158.3
[M+HCOO]- 295.227861 176.4
[M+CH3COO]- 309.243511 186.5
[M+Na-2H]- 271.204326 160.6
[M]+ 250.22911142 149.2
[M]- 250.23020858 149.2
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