CID 44242684

1-(2-ethylbutyl)cyclohexanecarbonitrile

Structural Information

Molecular Formula

C₁₃H₂₃N

SMILES

CCC(CC)CC1(CCCCC1)C#N

InChI

InChI=1S/C13H23N/c1-3-12(4-2)10-13(11-14)8-6-5-7-9-13/h12H,3-10H2,1-2H3

InChIKey

DRMOLJPDSCAGCC-UHFFFAOYSA-N

Compound name

1-(2-ethylbutyl)cyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
Patents: 193.18304 Da
Monoisotopic Mass: 4.7
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]+	194.19032	148.3
[M+Na]+	216.17226	158.0
[M+NH4]+	211.21686	154.9
[M+K]+	232.14620	146.4
[M-H]-	192.17576	143.2
[M+Na-2H]-	214.15771	151.8
[M]+	193.18249	147.5
[M]-	193.18359	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe