CID 143565

1-ethyl-1h-1,2,4-triazol-5-amine hydrochloride

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CCN1C(=NC=N1)N

InChI

InChI=1S/C4H8N4/c1-2-8-4(5)6-3-7-8/h3H,2H2,1H3,(H2,5,6,7)

InChIKey

SXRAEXLYRRHOSI-UHFFFAOYSA-N

Compound name

2-ethyl-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 112.0749 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]+	113.08218	120.2
[M+Na]+	135.06412	131.1
[M+NH4]+	130.10872	127.7
[M+K]+	151.03806	128.2
[M-H]-	111.06762	120.3
[M+Na-2H]-	133.04957	126.0
[M]+	112.07435	121.4
[M]-	112.07545	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe