CID 22561972

2-(1h-1,2,3-triazol-1-yl)ethanamine

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

C1=CN(N=N1)CCN

InChI

InChI=1S/C4H8N4/c5-1-3-8-4-2-6-7-8/h2,4H,1,3,5H2

InChIKey

CHEYEJGXQSHSFE-UHFFFAOYSA-N

Compound name

2-(triazol-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 112.0749 Da
Monoisotopic Mass: -1.3
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]+	113.08218	120.2
[M+Na]+	135.06412	130.8
[M+NH4]+	130.10872	127.6
[M+K]+	151.03806	127.6
[M-H]-	111.06762	120.2
[M+Na-2H]-	133.04957	126.2
[M]+	112.07435	121.3
[M]-	112.07545	121.3

Literature stripe

literature stripe

Patent stripe

patents stripe