CID 138040047

2247103-50-8

Structural Information

Molecular Formula
C5H9N3
SMILES
C1CC2(CNC1)N=N2
InChI
InChI=1S/C5H9N3/c1-2-5(7-8-5)4-6-3-1/h6H,1-4H2
InChIKey
IOBYHAFGPGBUTE-UHFFFAOYSA-N
Compound name
1,2,7-triazaspiro[2.5]oct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

111.07965 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.086926 133.7
[M+Na]+ 134.068868 143.0
[M-H]- 110.072374 134.6
[M+NH4]+ 129.113473 148.8
[M+K]+ 150.042808 140.7
[M+H-H2O]+ 94.076910 126.1
[M+HCOO]- 156.077851 151.5
[M+CH3COO]- 170.093501 145.4
[M+Na-2H]- 132.054316 142.9
[M]+ 111.07910142 130.7
[M]- 111.08019858 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

No patent data available for this compound.