CID 132256970

2170217-10-2

Structural Information

Molecular Formula
C4H7N3
SMILES
C1CNCC12N=N2
InChI
InChI=1S/C4H7N3/c1-2-5-3-4(1)6-7-4/h5H,1-3H2
InChIKey
OKDZCESOXABOAA-UHFFFAOYSA-N
Compound name
1,2,6-triazaspiro[2.4]hept-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

97.063995 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.071271 127.1
[M+Na]+ 120.05321 137.7
[M-H]- 96.056719 128.4
[M+NH4]+ 115.09782 144.5
[M+K]+ 136.02715 135.4
[M+H-H2O]+ 80.061255 119.9
[M+HCOO]- 142.06220 147.1
[M+CH3COO]- 156.07785 140.0
[M+Na-2H]- 118.03866 135.4
[M]+ 97.063446 125.8
[M]- 97.064544 125.8
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