CID 82594203

1909326-22-2

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

CN1C=NC(=N1)CCCN

InChI

InChI=1S/C6H12N4/c1-10-5-8-6(9-10)3-2-4-7/h5H,2-4,7H2,1H3

InChIKey

WMLLVXMZSGSSEU-UHFFFAOYSA-N

Compound name

3-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 140.1062 Da
Monoisotopic Mass: -0.3
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	129.1
[M+Na]+	163.09542	139.6
[M+NH4]+	158.14002	136.2
[M+K]+	179.06936	136.2
[M-H]-	139.09892	129.1
[M+Na-2H]-	161.08087	134.3
[M]+	140.10565	130.2
[M]-	140.10675	130.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.