CID 3039953

51444-27-0

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

CN(C)CCN1C=NC=N1

InChI

InChI=1S/C6H12N4/c1-9(2)3-4-10-6-7-5-8-10/h5-6H,3-4H2,1-2H3

InChIKey

BLFOJPQSVBUXAO-UHFFFAOYSA-N

Compound name

N,N-dimethyl-2-(1,2,4-triazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 140.1062 Da
Monoisotopic Mass: 0.0
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	128.9
[M+Na]+	163.09542	136.9
[M-H]-	139.09892	129.9
[M+NH4]+	158.14002	148.7
[M+K]+	179.06936	137.1
[M+H-H2O]+	123.10346	120.4
[M+HCOO]-	185.10440	152.8
[M+CH3COO]-	199.12005	179.0
[M+Na-2H]-	161.08087	136.0
[M]+	140.10565	130.5
[M]-	140.10675	130.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe