CID 14609940

2-(2-methyl-2-propenyl)cyclododecan-1-one

Structural Information

Molecular Formula

C₁₆H₂₈O

SMILES

CC(=C)CC1CCCCCCCCCCC1=O

InChI

InChI=1S/C16H28O/c1-14(2)13-15-11-9-7-5-3-4-6-8-10-12-16(15)17/h15H,1,3-13H2,2H3

InChIKey

RSOBFXURUKCIKG-UHFFFAOYSA-N

Compound name

2-(2-methylprop-2-enyl)cyclododecan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 58
Patents: 236.21402 Da
Monoisotopic Mass: 5.9
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]+	237.22130	158.4
[M+Na]+	259.20324	159.9
[M-H]-	235.20674	158.1
[M+NH4]+	254.24784	173.0
[M+K]+	275.17718	158.1
[M+H-H2O]+	219.21128	155.4
[M+HCOO]-	281.21222	173.2
[M+CH3COO]-	295.22787	188.0
[M+Na-2H]-	257.18869	156.6
[M]+	236.21347	148.0
[M]-	236.21457	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe