CID 11855994

5-cyclotetradecen-1-one, 3-methyl-, (5z)-

Structural Information

Molecular Formula

C₁₅H₂₆O

SMILES

CC1C/C=C\CCCCCCCCC(=O)C1

InChI

InChI=1S/C15H26O/c1-14-11-9-7-5-3-2-4-6-8-10-12-15(16)13-14/h7,9,14H,2-6,8,10-13H2,1H3/b9-7-

InChIKey

ZFGBKXBPHOUSJX-CLFYSBASSA-N

Compound name

(5Z)-3-methylcyclotetradec-5-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 551
Patents: 222.19836 Da
Monoisotopic Mass: 4.9
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]+	223.205636	152.8
[M+Na]+	245.187578	155.2
[M-H]-	221.191084	153.5
[M+NH4]+	240.232183	168.0
[M+K]+	261.161518	153.9
[M+H-H2O]+	205.195620	150.0
[M+HCOO]-	267.196561	169.4
[M+CH3COO]-	281.212211	182.5
[M+Na-2H]-	243.173026	153.5
[M]+	222.19781142	142.4
[M]-	222.19890858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe