CID 4366578

76955-95-8

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

CC(C)CC1=NC(=NN1)N

InChI

InChI=1S/C6H12N4/c1-4(2)3-5-8-6(7)10-9-5/h4H,3H2,1-2H3,(H3,7,8,9,10)

InChIKey

UNPBPOSGHGAKDM-UHFFFAOYSA-N

Compound name

5-(2-methylpropyl)-1H-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 140.1062 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]+	141.11348	130.9
[M+Na]+	163.09542	139.0
[M-H]-	139.09892	129.0
[M+NH4]+	158.14002	149.2
[M+K]+	179.06936	136.9
[M+H-H2O]+	123.10346	123.3
[M+HCOO]-	185.10440	151.1
[M+CH3COO]-	199.12005	174.1
[M+Na-2H]-	161.08087	135.1
[M]+	140.10565	128.1
[M]-	140.10675	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe