CID 97017

84145-72-2

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1COCCN1CCCCC#N

InChI

InChI=1S/C9H16N2O/c10-4-2-1-3-5-11-6-8-12-9-7-11/h1-3,5-9H2

InChIKey

WTUXHXRBJCBHNP-UHFFFAOYSA-N

Compound name

5-morpholin-4-ylpentanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 168.12627 Da
Monoisotopic Mass: 0.3
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	131.7
[M+Na]+	191.11549	138.4
[M-H]-	167.11899	132.9
[M+NH4]+	186.16009	147.5
[M+K]+	207.08943	137.4
[M+H-H2O]+	151.12353	118.3
[M+HCOO]-	213.12447	147.0
[M+CH3COO]-	227.14012	190.8
[M+Na-2H]-	189.10094	138.1
[M]+	168.12572	125.1
[M]-	168.12682	125.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe