CID 274316

7721-57-5

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=NNC(=O)C12CC2
InChI
InChI=1S/C6H8N2O/c1-4-6(2-3-6)5(9)8-7-4/h2-3H2,1H3,(H,8,9)
InChIKey
DUZXHXOJMPMPFV-UHFFFAOYSA-N
Compound name
4-methyl-5,6-diazaspiro[2.4]hept-4-en-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.06366 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 130.0
[M+Na]+ 147.05288 141.8
[M-H]- 123.05638 133.3
[M+NH4]+ 142.09748 148.3
[M+K]+ 163.02682 138.7
[M+H-H2O]+ 107.06092 124.3
[M+HCOO]- 169.06186 151.0
[M+CH3COO]- 183.07751 170.1
[M+Na-2H]- 145.03833 136.5
[M]+ 124.06311 130.6
[M]- 124.06421 130.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.