CID 14609951

Cyclopentadecanone, 3-methylene-

Structural Information

Molecular Formula

C₁₆H₂₈O

SMILES

C=C1CCCCCCCCCCCCC(=O)C1

InChI

InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h1-14H2

InChIKey

QBQWSIJFJSWCAE-UHFFFAOYSA-N

Compound name

3-methylidenecyclopentadecan-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 236.21402 Da
Monoisotopic Mass: 5.6
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]+	237.221296	158.0
[M+Na]+	259.203238	159.0
[M-H]-	235.206744	158.4
[M+NH4]+	254.247843	172.2
[M+K]+	275.177178	157.0
[M+H-H2O]+	219.211280	155.1
[M+HCOO]-	281.212221	172.5
[M+CH3COO]-	295.227871	184.1
[M+Na-2H]-	257.188686	156.9
[M]+	236.21347142	144.6
[M]-	236.21456858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe