CID 62678660

1-tert-butyl-1h-1,2,4-triazol-5-amine

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

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

InChI

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

InChIKey

CTVKXSFYBWIMAL-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
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	131.1
[M+Na]+	163.09542	140.4
[M-H]-	139.09892	130.9
[M+NH4]+	158.14002	150.5
[M+K]+	179.06936	139.2
[M+H-H2O]+	123.10346	124.0
[M+HCOO]-	185.10440	152.2
[M+CH3COO]-	199.12005	175.5
[M+Na-2H]-	161.08087	137.6
[M]+	140.10565	130.2
[M]-	140.10675	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe