CID 22055

Morpholinoacetonitrile

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

C1COCCN1CC#N

InChI

InChI=1S/C6H10N2O/c7-1-2-8-3-5-9-6-4-8/h2-6H2

InChIKey

OOSOCAXREAGIGA-UHFFFAOYSA-N

Compound name

2-morpholin-4-ylacetonitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 1230
Patents: 126.079315 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]+	127.086591	119.9
[M+Na]+	149.068533	127.7
[M-H]-	125.072039	121.6
[M+NH4]+	144.113138	137.1
[M+K]+	165.042473	127.4
[M+H-H2O]+	109.076575	107.0
[M+HCOO]-	171.077516	136.0
[M+CH3COO]-	185.093166	182.6
[M+Na-2H]-	147.053981	127.7
[M]+	126.07876642	112.3
[M]-	126.07986358	112.3

Literature stripe

literature stripe

Patent stripe

patents stripe