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

23
Patents

111.07965 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.08693 133.7
[M+Na]+ 134.06887 143.0
[M-H]- 110.07237 134.6
[M+NH4]+ 129.11347 148.8
[M+K]+ 150.04281 140.7
[M+H-H2O]+ 94.076910 126.1
[M+HCOO]- 156.07785 151.5
[M+CH3COO]- 170.09350 145.4
[M+Na-2H]- 132.05432 142.9
[M]+ 111.07910 130.7
[M]- 111.08020 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe