CID 229279

15029-32-0

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

C1COCCN1C(=O)CC#N

InChI

InChI=1S/C7H10N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1,3-6H2

InChIKey

AUZPMUJGZZSMCP-UHFFFAOYSA-N

Compound name

3-morpholin-4-yl-3-oxopropanenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 225
Patents: 154.07423 Da
Monoisotopic Mass: -0.8
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]+	155.08151	127.7
[M+Na]+	177.06345	135.2
[M-H]-	153.06695	129.4
[M+NH4]+	172.10805	143.8
[M+K]+	193.03739	135.0
[M+H-H2O]+	137.07149	114.6
[M+HCOO]-	199.07243	143.0
[M+CH3COO]-	213.08808	186.6
[M+Na-2H]-	175.04890	133.8
[M]+	154.07368	120.4
[M]-	154.07478	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe