CID 20647845

7-(methylamino)-5-azaspiro[2.4]heptan-4-one

Structural Information

Molecular Formula
C7H12N2O
SMILES
CNC1CNC(=O)C12CC2
InChI
InChI=1S/C7H12N2O/c1-8-5-4-9-6(10)7(5)2-3-7/h5,8H,2-4H2,1H3,(H,9,10)
InChIKey
LZBFXAQFFQUKPD-UHFFFAOYSA-N
Compound name
7-(methylamino)-5-azaspiro[2.4]heptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

140.09496 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 130.4
[M+Na]+ 163.084178 139.9
[M-H]- 139.087684 134.6
[M+NH4]+ 158.128783 149.0
[M+K]+ 179.058118 136.8
[M+H-H2O]+ 123.092220 125.4
[M+HCOO]- 185.093161 151.8
[M+CH3COO]- 199.108811 175.3
[M+Na-2H]- 161.069626 136.5
[M]+ 140.09441142 128.9
[M]- 140.09550858 128.9
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