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

19
Patents

250.22966 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.23694 161.4
[M+Na]+ 273.21888 162.5
[M-H]- 249.22238 162.2
[M+NH4]+ 268.26348 175.1
[M+K]+ 289.19282 160.7
[M+H-H2O]+ 233.22692 158.3
[M+HCOO]- 295.22786 176.4
[M+CH3COO]- 309.24351 186.5
[M+Na-2H]- 271.20433 160.6
[M]+ 250.22911 149.2
[M]- 250.23021 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