CID 12999

Decane, 1-(ethenyloxy)-

Structural Information

Molecular Formula

C₁₂H₂₄O

SMILES

CCCCCCCCCCOC=C

InChI

InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12-13-4-2/h4H,2-3,5-12H2,1H3

InChIKey

NSOAQRMLVFRWIT-UHFFFAOYSA-N

Compound name

1-ethenoxydecane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 7018
Patents: 184.18271 Da
Monoisotopic Mass: 5.3
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]+	185.18999	146.9
[M+Na]+	207.17193	156.8
[M+NH4]+	202.21653	154.5
[M+K]+	223.14587	148.9
[M-H]-	183.17543	146.6
[M+Na-2H]-	205.15738	150.0
[M]+	184.18216	148.0
[M]-	184.18326	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe