CID 53487146

920275-05-4

Structural Information

Molecular Formula

C₁₇H₃₀

SMILES

CCC1CCC(CC1)C2CCC(CC2)/C=C/C

InChI

InChI=1S/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h3,5,14-17H,4,6-13H2,1-2H3/b5-3+

InChIKey

VPVLGLMCUCWKHU-HWKANZROSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 234.23476 Da
Monoisotopic Mass: 7.1
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]+	235.24204	161.6
[M+Na]+	257.22398	162.9
[M-H]-	233.22748	165.9
[M+NH4]+	252.26858	179.1
[M+K]+	273.19792	159.0
[M+H-H2O]+	217.23202	154.4
[M+HCOO]-	279.23296	176.4
[M+CH3COO]-	293.24861	194.1
[M+Na-2H]-	255.20943	160.5
[M]+	234.23421	153.0
[M]-	234.23531	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe