CID 15504

Ethylcyclohexane

Structural Information

Molecular Formula

C₈H₁₆

SMILES

CCC1CCCCC1

InChI

InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChIKey

IIEWJVIFRVWJOD-UHFFFAOYSA-N

Compound name

ethylcyclohexane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 25
References: 91538
Patents: 112.1252 Da
Monoisotopic Mass: 4.0
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]+	113.13248	125.0
[M+Na]+	135.11442	129.7
[M-H]-	111.11792	127.7
[M+NH4]+	130.15902	147.6
[M+K]+	151.08836	129.0
[M+H-H2O]+	95.122460	119.9
[M+HCOO]-	157.12340	145.5
[M+CH3COO]-	171.13905	169.6
[M+Na-2H]-	133.09987	130.8
[M]+	112.12465	120.2
[M]-	112.12575	120.2

Literature stripe

literature stripe

Patent stripe

patents stripe