CID 516599

121845-51-0

Structural Information

Molecular Formula

C₁₁H₁₂N₄

SMILES

C1CCC(C1)C2=NC3=C(C=CN=C3)N=N2

InChI

InChI=1S/C11H12N4/c1-2-4-8(3-1)11-13-10-7-12-6-5-9(10)14-15-11/h5-8H,1-4H2

InChIKey

WSGRDQXJJGVDAB-UHFFFAOYSA-N

Compound name

3-cyclopentylpyrido[3,4-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 200.1062 Da
Monoisotopic Mass: 1.2
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]+	201.113476	144.0
[M+Na]+	223.095418	152.2
[M-H]-	199.098924	145.7
[M+NH4]+	218.140023	160.0
[M+K]+	239.069358	148.1
[M+H-H2O]+	183.103460	133.7
[M+HCOO]-	245.104401	161.7
[M+CH3COO]-	259.120051	155.5
[M+Na-2H]-	221.080866	150.7
[M]+	200.10565142	141.0
[M]-	200.10674858	141.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.