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]+ 141.10224 130.4
[M+Na]+ 163.08418 139.9
[M-H]- 139.08768 134.6
[M+NH4]+ 158.12878 149.0
[M+K]+ 179.05812 136.8
[M+H-H2O]+ 123.09222 125.4
[M+HCOO]- 185.09316 151.8
[M+CH3COO]- 199.10881 175.3
[M+Na-2H]- 161.06963 136.5
[M]+ 140.09441 128.9
[M]- 140.09551 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