CID 132256970

1,2,5-triazaspiro[2.4]hept-1-ene hydrochloride

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

13
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]+ 120.053213 137.7
[M-H]- 96.056719 128.4
[M+NH4]+ 115.097818 144.5
[M+K]+ 136.027153 135.4
[M+H-H2O]+ 80.061255 119.9
[M+HCOO]- 142.062196 147.1
[M+CH3COO]- 156.077846 140.0
[M+Na-2H]- 118.038661 135.4
[M]+ 97.06344642 125.8
[M]- 97.06454358 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