CID 27003

Srz57yy35y

Structural Information

Molecular Formula

C₇H₁₀N₂O₂

SMILES

C1COCCN1C(C=O)C#N

InChI

InChI=1S/C7H10N2O2/c8-5-7(6-10)9-1-3-11-4-2-9/h6-7H,1-4H2

InChIKey

XYMTVJUZZWUIBP-UHFFFAOYSA-N

Compound name

2-morpholin-4-yl-3-oxopropanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 154.07423 Da
Monoisotopic Mass: -0.6
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	127.4
[M+Na]+	177.06345	134.7
[M-H]-	153.06695	129.0
[M+NH4]+	172.10805	143.4
[M+K]+	193.03739	134.6
[M+H-H2O]+	137.07149	114.2
[M+HCOO]-	199.07243	142.7
[M+CH3COO]-	213.08808	187.2
[M+Na-2H]-	175.04890	133.5
[M]+	154.07368	120.2
[M]-	154.07478	120.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe