CID 135480772

121845-88-3

Structural Information

Molecular Formula

C₈H₁₀N₄

SMILES

CC1(NC2=C(C=CN=C2)N=N1)C

InChI

InChI=1S/C8H10N4/c1-8(2)10-7-5-9-4-3-6(7)11-12-8/h3-5,10H,1-2H3

InChIKey

VIHKVZJNNARYNU-UHFFFAOYSA-N

Compound name

3,3-dimethyl-4H-pyrido[3,4-e][1,2,4]triazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 162.09055 Da
Monoisotopic Mass: 1.3
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]+	163.097826	135.7
[M+Na]+	185.079768	145.8
[M-H]-	161.083274	133.7
[M+NH4]+	180.124373	153.5
[M+K]+	201.053708	142.0
[M+H-H2O]+	145.087810	127.5
[M+HCOO]-	207.088751	152.3
[M+CH3COO]-	221.104401	147.7
[M+Na-2H]-	183.065216	146.5
[M]+	162.09000142	133.5
[M]-	162.09109858	133.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.