CID 87163

3-amino-5,6-dimethyl-1,2,4-triazine

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

CC1=C(N=NC(=N1)N)C

InChI

InChI=1S/C5H8N4/c1-3-4(2)8-9-5(6)7-3/h1-2H3,(H2,6,7,9)

InChIKey

UIKGLXJNZXSPGV-UHFFFAOYSA-N

Compound name

5,6-dimethyl-1,2,4-triazin-3-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 406
Patents: 124.0749 Da
Monoisotopic Mass: -0.4
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]+	125.08218	123.3
[M+Na]+	147.06412	136.5
[M+NH4]+	142.10872	130.9
[M+K]+	163.03806	131.1
[M-H]-	123.06762	124.3
[M+Na-2H]-	145.04957	130.4
[M]+	124.07435	125.3
[M]-	124.07545	125.3

Literature stripe

literature stripe

Patent stripe

patents stripe