CID 22381192

1-[3-(methylamino)propyl]imidazolidin-2-one hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N₃O

SMILES

CNCCCN1CCNC1=O

InChI

InChI=1S/C7H15N3O/c1-8-3-2-5-10-6-4-9-7(10)11/h8H,2-6H2,1H3,(H,9,11)

InChIKey

PBEHKSXYRLKENN-UHFFFAOYSA-N

Compound name

1-[3-(methylamino)propyl]imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 157.1215 Da
Monoisotopic Mass: -0.7
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]+	158.12878	135.6
[M+Na]+	180.11072	141.6
[M-H]-	156.11422	134.6
[M+NH4]+	175.15532	154.6
[M+K]+	196.08466	139.7
[M+H-H2O]+	140.11876	128.4
[M+HCOO]-	202.11970	155.9
[M+CH3COO]-	216.13535	176.0
[M+Na-2H]-	178.09617	139.6
[M]+	157.12095	132.1
[M]-	157.12205	132.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe