CID 75472684

6-cyclopropylmorpholin-3-one

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

C1CC1C2CNC(=O)CO2

InChI

InChI=1S/C7H11NO2/c9-7-4-10-6(3-8-7)5-1-2-5/h5-6H,1-4H2,(H,8,9)

InChIKey

OBTWWRRNGMWQAS-UHFFFAOYSA-N

Compound name

6-cyclopropylmorpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 141.07898 Da
Monoisotopic Mass: 0.0
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]+	142.086256	131.6
[M+Na]+	164.068198	139.7
[M-H]-	140.071704	136.8
[M+NH4]+	159.112803	144.9
[M+K]+	180.042138	138.3
[M+H-H2O]+	124.076240	124.6
[M+HCOO]-	186.077181	149.8
[M+CH3COO]-	200.092831	173.0
[M+Na-2H]-	162.053646	137.8
[M]+	141.07843142	129.6
[M]-	141.07952858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe