CID 666943

774560-69-9

Structural Information

Molecular Formula

C₉H₁₂N₄O

SMILES

CCCC1=CC(=O)N2C(=N1)N=C(N2)C

InChI

InChI=1S/C9H12N4O/c1-3-4-7-5-8(14)13-9(11-7)10-6(2)12-13/h5H,3-4H2,1-2H3,(H,10,11,12)

InChIKey

VTTFXMKEDKMVDG-UHFFFAOYSA-N

Compound name

2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 192.1011 Da
Monoisotopic Mass: 0.3
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]+	193.10838	141.0
[M+Na]+	215.09032	155.0
[M+NH4]+	210.13492	147.7
[M+K]+	231.06426	150.8
[M-H]-	191.09382	140.3
[M+Na-2H]-	213.07577	146.4
[M]+	192.10055	142.6
[M]-	192.10165	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe