CID 91198651

1,2,6-triazaspiro[2.5]oct-1-ene hydrochloride

Structural Information

Molecular Formula

C₅H₉N₃

SMILES

C1CNCCC12N=N2

InChI

InChI=1S/C5H9N3/c1-3-6-4-2-5(1)7-8-5/h6H,1-4H2

InChIKey

DRYAADGKVSVPOP-UHFFFAOYSA-N

Compound name

1,2,6-triazaspiro[2.5]oct-1-ene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 111.07965 Da
Monoisotopic Mass: 0.2
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]+	112.08693	127.8
[M+Na]+	134.06887	140.9
[M+NH4]+	129.11347	138.1
[M+K]+	150.04281	134.6
[M-H]-	110.07237	135.6
[M+Na-2H]-	132.05432	138.0
[M]+	111.07910	133.0
[M]-	111.08020	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe