CID 61360616

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

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CC(C)(C1=NC=NN1)N

InChI

InChI=1S/C5H10N4/c1-5(2,6)4-7-3-8-9-4/h3H,6H2,1-2H3,(H,7,8,9)

InChIKey

RLJVJOHKWIRKKJ-UHFFFAOYSA-N

Compound name

2-(1H-1,2,4-triazol-5-yl)propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 126.090546 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]+	127.097822	126.9
[M+Na]+	149.079764	135.1
[M-H]-	125.083270	125.0
[M+NH4]+	144.124369	145.6
[M+K]+	165.053704	133.3
[M+H-H2O]+	109.087806	119.8
[M+HCOO]-	171.088747	146.8
[M+CH3COO]-	185.104397	169.4
[M+Na-2H]-	147.065212	134.2
[M]+	126.08999742	123.4
[M]-	126.09109458	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe