CID 294574

5807-11-4

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

C1COCCN1CCCC#N

InChI

InChI=1S/C8H14N2O/c9-3-1-2-4-10-5-7-11-8-6-10/h1-2,4-8H2

InChIKey

DNHBZJPTXSALLZ-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 154.11061 Da
Monoisotopic Mass: -0.1
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]+	155.117886	127.8
[M+Na]+	177.099828	134.8
[M-H]-	153.103334	129.1
[M+NH4]+	172.144433	144.0
[M+K]+	193.073768	134.1
[M+H-H2O]+	137.107870	114.5
[M+HCOO]-	199.108811	143.3
[M+CH3COO]-	213.124461	188.1
[M+Na-2H]-	175.085276	134.7
[M]+	154.11006142	120.9
[M]-	154.11115858	120.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe