CID 1714204

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

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CCC1=NC(=NN1)N

InChI

InChI=1S/C4H8N4/c1-2-3-6-4(5)8-7-3/h2H2,1H3,(H3,5,6,7,8)

InChIKey

ZVWFWIXWMIMWEU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 178
Patents: 112.0749 Da
Monoisotopic Mass: 0.5
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	121.2
[M+Na]+	135.06412	130.4
[M-H]-	111.06762	119.5
[M+NH4]+	130.10872	140.8
[M+K]+	151.03806	128.4
[M+H-H2O]+	95.072160	113.9
[M+HCOO]-	157.07310	143.1
[M+CH3COO]-	171.08875	167.2
[M+Na-2H]-	133.04957	127.7
[M]+	112.07435	118.3
[M]-	112.07545	118.3

Literature stripe

literature stripe

Patent stripe

patents stripe