CID 24262147

956722-56-8

Structural Information

Molecular Formula

C₆H₁₂N₂O₂

SMILES

CN1CC(OCC1=O)CN

InChI

InChI=1S/C6H12N2O2/c1-8-3-5(2-7)10-4-6(8)9/h5H,2-4,7H2,1H3

InChIKey

YFDRAVVFENWUHT-UHFFFAOYSA-N

Compound name

6-(aminomethyl)-4-methylmorpholin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 144.08987 Da
Monoisotopic Mass: -1.5
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]+	145.097146	130.1
[M+Na]+	167.079088	137.0
[M-H]-	143.082594	132.4
[M+NH4]+	162.123693	148.6
[M+K]+	183.053028	137.3
[M+H-H2O]+	127.087130	123.8
[M+HCOO]-	189.088071	150.0
[M+CH3COO]-	203.103721	175.6
[M+Na-2H]-	165.064536	135.6
[M]+	144.08932142	126.9
[M]-	144.09041858	126.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe