CID 28117277

1197236-65-9

Structural Information

Molecular Formula

C₆H₁₃N₃O

SMILES

C1CN(C(=O)N1)CCCN

InChI

InChI=1S/C6H13N3O/c7-2-1-4-9-5-3-8-6(9)10/h1-5,7H2,(H,8,10)

InChIKey

TZNAROISIPROOZ-UHFFFAOYSA-N

Compound name

1-(3-aminopropyl)imidazolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 152
Patents: 143.10587 Da
Monoisotopic Mass: -1.3
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]+	144.11315	131.5
[M+Na]+	166.09509	137.9
[M-H]-	142.09859	130.1
[M+NH4]+	161.13969	150.7
[M+K]+	182.06903	135.8
[M+H-H2O]+	126.10313	124.5
[M+HCOO]-	188.10407	151.5
[M+CH3COO]-	202.11972	172.3
[M+Na-2H]-	164.08054	134.9
[M]+	143.10532	126.5
[M]-	143.10642	126.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe