CID 3039957

51444-31-6

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

C1=NN(C=N1)CCN

InChI

InChI=1S/C4H8N4/c5-1-2-8-4-6-3-7-8/h3-4H,1-2,5H2

InChIKey

IDWZESHNJMMWTR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 189
Patents: 112.0749 Da
Monoisotopic Mass: -1.0
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]+	113.08218	120.1
[M+Na]+	135.06412	128.7
[M-H]-	111.06762	119.3
[M+NH4]+	130.10872	140.0
[M+K]+	151.03806	127.7
[M+H-H2O]+	95.072160	112.2
[M+HCOO]-	157.07310	143.4
[M+CH3COO]-	171.08875	168.8
[M+Na-2H]-	133.04957	127.8
[M]+	112.07435	118.6
[M]-	112.07545	118.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe