CID 134819068

2-amino-6-azaspiro[3.4]octan-5-one

Structural Information

Molecular Formula
C7H12N2O
SMILES
C1CNC(=O)C12CC(C2)N
InChI
InChI=1S/C7H12N2O/c8-5-3-7(4-5)1-2-9-6(7)10/h5H,1-4,8H2,(H,9,10)
InChIKey
IXOAVPNFUUDKLB-UHFFFAOYSA-N
Compound name
2-amino-6-azaspiro[3.4]octan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

140.09496 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.10224 128.0
[M+Na]+ 163.08418 133.6
[M-H]- 139.08768 130.6
[M+NH4]+ 158.12878 144.5
[M+K]+ 179.05812 134.1
[M+H-H2O]+ 123.09222 118.1
[M+HCOO]- 185.09316 147.2
[M+CH3COO]- 199.10881 174.3
[M+Na-2H]- 161.06963 132.3
[M]+ 140.09441 129.9
[M]- 140.09551 129.9
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