CID 18341917

139056-63-6

Structural Information

Molecular Formula

C₁₇H₂₈

SMILES

C/C=C/C1CCC(CC1)C2CCC(CC2)C=C

InChI

InChI=1S/C17H28/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3-5,14-17H,2,6-13H2,1H3/b5-3+

InChIKey

FVVMZDMDPCZGFP-HWKANZROSA-N

Compound name

1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 93
Patents: 232.2191 Da
Monoisotopic Mass: 6.6
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]+	233.226376	160.1
[M+Na]+	255.208318	161.8
[M-H]-	231.211824	164.5
[M+NH4]+	250.252923	177.7
[M+K]+	271.182258	157.3
[M+H-H2O]+	215.216360	153.0
[M+HCOO]-	277.217301	175.2
[M+CH3COO]-	291.232951	193.3
[M+Na-2H]-	253.193766	159.1
[M]+	232.21855142	150.8
[M]-	232.21964858	150.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe