CID 135741970

1286279-33-1

Structural Information

Molecular Formula

C₉H₁₂N₄O

SMILES

CC(C)(C)C1=NN2C(=C1)N=CNC2=O

InChI

InChI=1S/C9H12N4O/c1-9(2,3)6-4-7-10-5-11-8(14)13(7)12-6/h4-5H,1-3H3,(H,10,11,14)

InChIKey

TWIRTOOIBISMKQ-UHFFFAOYSA-N

Compound name

7-tert-butyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 192.1011 Da
Monoisotopic Mass: 1.5
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]+	193.10838	140.8
[M+Na]+	215.09032	154.1
[M+NH4]+	210.13492	147.3
[M+K]+	231.06426	151.1
[M-H]-	191.09382	139.5
[M+Na-2H]-	213.07577	146.5
[M]+	192.10055	142.2
[M]-	192.10165	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe