CID 55286545

1-oxa-3-azaspiro[4.4]nonan-2-one

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CCC2(C1)CNC(=O)O2
InChI
InChI=1S/C7H11NO2/c9-6-8-5-7(10-6)3-1-2-4-7/h1-5H2,(H,8,9)
InChIKey
XFYDBKMBHLMEQO-UHFFFAOYSA-N
Compound name
1-oxa-3-azaspiro[4.4]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 128.9
[M+Na]+ 164.06820 135.6
[M-H]- 140.07170 132.1
[M+NH4]+ 159.11280 152.4
[M+K]+ 180.04214 135.1
[M+H-H2O]+ 124.07624 123.9
[M+HCOO]- 186.07718 148.1
[M+CH3COO]- 200.09283 165.9
[M+Na-2H]- 162.05365 133.6
[M]+ 141.07843 123.7
[M]- 141.07953 123.7
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