CID 22273198

2-amino-1-(morpholin-4-yl)butan-1-one

Structural Information

Molecular Formula

C₈H₁₆N₂O₂

SMILES

CCC(C(=O)N1CCOCC1)N

InChI

InChI=1S/C8H16N2O2/c1-2-7(9)8(11)10-3-5-12-6-4-10/h7H,2-6,9H2,1H3

InChIKey

KCTSYDSISOQLMH-UHFFFAOYSA-N

Compound name

2-amino-1-morpholin-4-ylbutan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 172.12119 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]+	173.12847	140.5
[M+Na]+	195.11041	144.3
[M-H]-	171.11391	141.9
[M+NH4]+	190.15501	157.2
[M+K]+	211.08435	145.0
[M+H-H2O]+	155.11845	133.5
[M+HCOO]-	217.11939	157.9
[M+CH3COO]-	231.13504	180.5
[M+Na-2H]-	193.09586	143.9
[M]+	172.12064	135.9
[M]-	172.12174	135.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe