CID 10888854

Tridec-12-en-2-one

Structural Information

Molecular Formula

C₁₃H₂₄O

SMILES

CC(=O)CCCCCCCCCC=C

InChI

InChI=1S/C13H24O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3H,1,4-12H2,2H3

InChIKey

UYCZPLKICNDOCL-UHFFFAOYSA-N

Compound name

tridec-12-en-2-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 17
Patents: 196.18271 Da
Monoisotopic Mass: 4.7
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]+	197.18999	151.0
[M+Na]+	219.17193	160.4
[M+NH4]+	214.21653	158.0
[M+K]+	235.14587	152.9
[M-H]-	195.17543	150.2
[M+Na-2H]-	217.15738	153.3
[M]+	196.18216	151.8
[M]-	196.18326	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe