CID 6432901

Cyclotetradec-3-en-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-CSKARUKUSA-N
Compound name
(3E)-cyclotetradec-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

208.18271 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.189986 148.9
[M+Na]+ 231.171928 150.7
[M-H]- 207.175434 149.3
[M+NH4]+ 226.216533 164.2
[M+K]+ 247.145868 149.6
[M+H-H2O]+ 191.179970 145.9
[M+HCOO]- 253.180911 165.7
[M+CH3COO]- 267.196561 178.5
[M+Na-2H]- 229.157376 150.6
[M]+ 208.18216142 137.6
[M]- 208.18325858 137.6
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