CID 68176294

1380786-07-1

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

CC(C)(C)N1C=NC(=N1)N

InChI

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

InChIKey

BGISKSHLHYGZFQ-UHFFFAOYSA-N

Compound name

1-tert-butyl-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 140.1062 Da
Monoisotopic Mass: 0.5
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	129.3
[M+Na]+	163.09542	139.5
[M+NH4]+	158.14002	136.2
[M+K]+	179.06936	137.4
[M-H]-	139.09892	128.7
[M+Na-2H]-	161.08087	134.5
[M]+	140.10565	130.3
[M]-	140.10675	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe