CID 16786789

1-(3-aminopropyl)-1,2-dihydropyrimidin-2-one dihydrochloride

Structural Information

Molecular Formula

C₇H₁₁N₃O

SMILES

C1=CN(C(=O)N=C1)CCCN

InChI

InChI=1S/C7H11N3O/c8-3-1-5-10-6-2-4-9-7(10)11/h2,4,6H,1,3,5,8H2

InChIKey

UMTWOZPNHLHVDM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.09021 Da
Monoisotopic Mass: -1.1
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]+	154.097486	130.6
[M+Na]+	176.079428	139.3
[M-H]-	152.082934	131.2
[M+NH4]+	171.124033	148.7
[M+K]+	192.053368	137.0
[M+H-H2O]+	136.087470	123.2
[M+HCOO]-	198.088411	154.0
[M+CH3COO]-	212.104061	177.1
[M+Na-2H]-	174.064876	138.5
[M]+	153.08966142	130.1
[M]-	153.09075858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe