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

3
Patents

125.08406 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 122.4
[M+Na]+ 148.073278 128.3
[M-H]- 124.076784 125.4
[M+NH4]+ 143.117883 140.0
[M+K]+ 164.047218 129.2
[M+H-H2O]+ 108.081320 113.1
[M+HCOO]- 170.082261 141.5
[M+CH3COO]- 184.097911 169.2
[M+Na-2H]- 146.058726 128.2
[M]+ 125.08351142 125.8
[M]- 125.08460858 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