CID 83815127

7-amino-5-methyl-5-azaspiro[2.4]heptan-4-one

Structural Information

Molecular Formula
C7H12N2O
SMILES
CN1CC(C2(C1=O)CC2)N
InChI
InChI=1S/C7H12N2O/c1-9-4-5(8)7(2-3-7)6(9)10/h5H,2-4,8H2,1H3
InChIKey
OICWYZPVYGAYHB-UHFFFAOYSA-N
Compound name
7-amino-5-methyl-5-azaspiro[2.4]heptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.09496 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 130.7
[M+Na]+ 163.08418 141.4
[M-H]- 139.08768 136.1
[M+NH4]+ 158.12878 150.0
[M+K]+ 179.05812 138.8
[M+H-H2O]+ 123.09222 125.7
[M+HCOO]- 185.09316 152.8
[M+CH3COO]- 199.10881 178.2
[M+Na-2H]- 161.06963 135.5
[M]+ 140.09441 130.4
[M]- 140.09551 130.4
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

No patent data available for this compound.