CID 4417734

29539-04-6

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1C(CCC(O1)C=C)C=C

InChI

InChI=1S/C10H16O/c1-4-9-6-7-10(5-2)11-8(9)3/h4-5,8-10H,1-2,6-7H2,3H3

InChIKey

MZKLBPGOWLRPRG-UHFFFAOYSA-N

Compound name

3,6-bis(ethenyl)-2-methyloxane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 152.12012 Da
Monoisotopic Mass: 2.6
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]+	153.12740	133.1
[M+Na]+	175.10934	139.5
[M-H]-	151.11284	136.9
[M+NH4]+	170.15394	153.3
[M+K]+	191.08328	138.4
[M+H-H2O]+	135.11738	128.1
[M+HCOO]-	197.11832	152.7
[M+CH3COO]-	211.13397	178.0
[M+Na-2H]-	173.09479	137.6
[M]+	152.11957	130.5
[M]-	152.12067	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe