CID 6365540

2-cyclotetradecen-1-one

Structural Information

Molecular Formula

C₁₄H₂₄O

SMILES

C1CCCCC/C=C/C(=O)CCCCC1

InChI

InChI=1S/C14H24O/c15-14-12-10-8-6-4-2-1-3-5-7-9-11-13-14/h10,12H,1-9,11,13H2/b12-10+

InChIKey

RYRDADIPPFMIQM-ZRDIBKRKSA-N

Compound name

(2E)-cyclotetradec-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 56
Patents: 208.18271 Da
Monoisotopic Mass: 5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe