CID 12102501

802915-18-0

Structural Information

Molecular Formula

C₄H₈N₄

SMILES

CCN1C=C(N=N1)N

InChI

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

InChIKey

QQTFIQIFWFHGEU-UHFFFAOYSA-N

Compound name

1-ethyltriazol-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
Patents: 112.0749 Da
Monoisotopic Mass: -0.4
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]+	113.082176	120.4
[M+Na]+	135.064118	130.0
[M-H]-	111.067624	120.1
[M+NH4]+	130.108723	140.7
[M+K]+	151.038058	129.0
[M+H-H2O]+	95.072160	112.9
[M+HCOO]-	157.073101	143.8
[M+CH3COO]-	171.088751	169.8
[M+Na-2H]-	133.049566	127.4
[M]+	112.07435142	119.4
[M]-	112.07544858	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe