CID 18341918

Bvbch

Structural Information

Molecular Formula

C₁₆H₂₆

SMILES

C=CC1CCC(CC1)C2CCC(CC2)C=C

InChI

InChI=1S/C16H26/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h3-4,13-16H,1-2,5-12H2

InChIKey

JHYHMRZAJLCIHW-UHFFFAOYSA-N

Compound name

1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 338
Patents: 218.20345 Da
Monoisotopic Mass: 6.4
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]+	219.210726	155.4
[M+Na]+	241.192668	157.4
[M-H]-	217.196174	160.0
[M+NH4]+	236.237273	173.4
[M+K]+	257.166608	153.2
[M+H-H2O]+	201.200710	148.4
[M+HCOO]-	263.201651	170.8
[M+CH3COO]-	277.217301	190.9
[M+Na-2H]-	239.178116	154.9
[M]+	218.20290142	145.8
[M]-	218.20399858	145.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe