CID 10931440

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

Structural Information

Molecular Formula
C6H10N2O
SMILES
C1CC12C(CNC2=O)N
InChI
InChI=1S/C6H10N2O/c7-4-3-8-5(9)6(4)1-2-6/h4H,1-3,7H2,(H,8,9)
InChIKey
JUQKPJZQWJJXMO-UHFFFAOYSA-N
Compound name
7-amino-5-azaspiro[2.4]heptan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

126.079315 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.08659 126.1
[M+Na]+ 149.06853 136.1
[M-H]- 125.07204 130.0
[M+NH4]+ 144.11314 145.0
[M+K]+ 165.04247 132.8
[M+H-H2O]+ 109.07658 121.3
[M+HCOO]- 171.07752 147.2
[M+CH3COO]- 185.09317 171.8
[M+Na-2H]- 147.05398 131.8
[M]+ 126.07877 123.3
[M]- 126.07986 123.3
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