CID 135480773

121845-89-4

Structural Information

Molecular Formula

C₁₁H₁₄N₄

SMILES

C1CCC(C1)C2NC3=C(C=CN=C3)N=N2

InChI

InChI=1S/C11H14N4/c1-2-4-8(3-1)11-13-10-7-12-6-5-9(10)14-15-11/h5-8,11,13H,1-4H2

InChIKey

DLRPEEWDHUZIHT-UHFFFAOYSA-N

Compound name

3-cyclopentyl-3,4-dihydropyrido[3,4-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 202.12184 Da
Monoisotopic Mass: 2.6
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]+	203.12912	146.0
[M+Na]+	225.11106	152.7
[M-H]-	201.11456	146.0
[M+NH4]+	220.15566	161.1
[M+K]+	241.08500	148.0
[M+H-H2O]+	185.11910	135.9
[M+HCOO]-	247.12004	160.7
[M+CH3COO]-	261.13569	156.3
[M+Na-2H]-	223.09651	151.2
[M]+	202.12129	139.8
[M]-	202.12239	139.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.