CID 16767398

1158631-54-9

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CN1C=NN=C1CCN

InChI

InChI=1S/C5H10N4/c1-9-4-7-8-5(9)2-3-6/h4H,2-3,6H2,1H3

InChIKey

OUROGIJRFJQLAW-UHFFFAOYSA-N

Compound name

2-(4-methyl-1,2,4-triazol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 126.090546 Da
Monoisotopic Mass: -1.2
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	124.9
[M+Na]+	149.079764	134.1
[M-H]-	125.083270	124.4
[M+NH4]+	144.124369	144.6
[M+K]+	165.053704	132.8
[M+H-H2O]+	109.087806	117.2
[M+HCOO]-	171.088747	148.0
[M+CH3COO]-	185.104397	172.9
[M+Na-2H]-	147.065212	131.4
[M]+	126.08999742	124.2
[M]-	126.09109458	124.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe