CID 40430165

1609407-05-7

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

C1=NN=CN1CCN

InChI

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

InChIKey

ATCZRYPJBPXFIN-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 112.0749 Da
Monoisotopic Mass: -1.6
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

No literature data available for this compound.

Patent stripe

patents stripe