CID 3018691

1,1-diethenylcyclohexane

Structural Information

Molecular Formula

C₁₀H₁₆

SMILES

C=CC1(CCCCC1)C=C

InChI

InChI=1S/C10H16/c1-3-10(4-2)8-6-5-7-9-10/h3-4H,1-2,5-9H2

InChIKey

ZWUBFMWIQJSEQS-UHFFFAOYSA-N

Compound name

1,1-bis(ethenyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1420
Patents: 136.1252 Da
Monoisotopic Mass: 4.4
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]+	137.132476	130.7
[M+Na]+	159.114418	136.1
[M-H]-	135.117924	133.6
[M+NH4]+	154.159023	154.3
[M+K]+	175.088358	133.9
[M+H-H2O]+	119.122460	126.2
[M+HCOO]-	181.123401	151.1
[M+CH3COO]-	195.139051	173.4
[M+Na-2H]-	157.099866	136.6
[M]+	136.12465142	125.6
[M]-	136.12574858	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe