CID 10678234

1-azaspiro[3.4]octan-2-one

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CCC2(C1)CC(=O)N2
InChI
InChI=1S/C7H11NO/c9-6-5-7(8-6)3-1-2-4-7/h1-5H2,(H,8,9)
InChIKey
GNDKIPVAKILSBS-UHFFFAOYSA-N
Compound name
1-azaspiro[3.4]octan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

125.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 122.4
[M+Na]+ 148.07328 128.3
[M-H]- 124.07678 125.4
[M+NH4]+ 143.11788 140.0
[M+K]+ 164.04722 129.2
[M+H-H2O]+ 108.08132 113.1
[M+HCOO]- 170.08226 141.5
[M+CH3COO]- 184.09791 169.2
[M+Na-2H]- 146.05873 128.2
[M]+ 125.08351 125.8
[M]- 125.08461 125.8
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