CID 6504250

3-amino-1-(morpholin-4-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂O₂

SMILES

C1COCCN1C(=O)CCN

InChI

InChI=1S/C7H14N2O2/c8-2-1-7(10)9-3-5-11-6-4-9/h1-6,8H2

InChIKey

WVFZXCIIJBHBAA-UHFFFAOYSA-N

Compound name

3-amino-1-morpholin-4-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 171
Patents: 158.10553 Da
Monoisotopic Mass: -1.7
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]+	159.112806	135.4
[M+Na]+	181.094748	139.8
[M-H]-	157.098254	136.8
[M+NH4]+	176.139353	152.7
[M+K]+	197.068688	140.3
[M+H-H2O]+	141.102790	128.5
[M+HCOO]-	203.103731	154.1
[M+CH3COO]-	217.119381	176.5
[M+Na-2H]-	179.080196	140.5
[M]+	158.10498142	131.1
[M]-	158.10607858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe