CID 6365541

3-cyclotetradecen-1-one

Structural Information

Molecular Formula
C14H24O
SMILES
C1CCCCCC(=O)C/C=C\CCCC1
InChI
InChI=1S/C14H24O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h8,10H,1-7,9,11-13H2/b10-8-
InChIKey
IQPHHDUFUOUJFQ-NTMALXAHSA-N
Compound name
(3Z)-cyclotetradec-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

208.18271 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.18999 149.9
[M+Na]+ 231.17193 159.9
[M+NH4]+ 226.21653 158.0
[M+K]+ 247.14587 152.2
[M-H]- 207.17543 153.4
[M+Na-2H]- 229.15738 156.2
[M]+ 208.18216 151.8
[M]- 208.18326 151.8
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