CID 135762281

2-hydrazinyl-6-propyl-3,4-dihydropyrimidin-4-one

Structural Information

Molecular Formula

C₇H₁₂N₄O

SMILES

CCCC1=CC(=O)NC(=N1)NN

InChI

InChI=1S/C7H12N4O/c1-2-3-5-4-6(12)10-7(9-5)11-8/h4H,2-3,8H2,1H3,(H2,9,10,11,12)

InChIKey

JKECXKVCNVYPEG-UHFFFAOYSA-N

Compound name

2-hydrazinyl-4-propyl-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 168.1011 Da
Monoisotopic Mass: -0.5
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]+	169.10838	134.4
[M+Na]+	191.09032	145.2
[M+NH4]+	186.13492	140.8
[M+K]+	207.06426	140.3
[M-H]-	167.09382	135.2
[M+Na-2H]-	189.07577	140.0
[M]+	168.10055	135.8
[M]-	168.10165	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe