CID 28702723

54961-36-3

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CCC(CC1)(C#N)NCCO

InChI

InChI=1S/C9H16N2O/c10-8-9(11-6-7-12)4-2-1-3-5-9/h11-12H,1-7H2

InChIKey

ZXKYYQPKEBFPCU-UHFFFAOYSA-N

Compound name

1-(2-hydroxyethylamino)cyclohexane-1-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 168.12627 Da
Monoisotopic Mass: 0.5
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]+	169.13355	140.4
[M+Na]+	191.11549	148.9
[M+NH4]+	186.16009	146.3
[M+K]+	207.08943	138.5
[M-H]-	167.11899	134.8
[M+Na-2H]-	189.10094	143.8
[M]+	168.12572	139.1
[M]-	168.12682	139.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.