CID 130138941

2-oxa-7-azaspiro[3.5]nonan-6-one

Structural Information

Molecular Formula
C7H11NO2
SMILES
C1CNC(=O)CC12COC2
InChI
InChI=1S/C7H11NO2/c9-6-3-7(1-2-8-6)4-10-5-7/h1-5H2,(H,8,9)
InChIKey
UJUSSFCWROAHJD-UHFFFAOYSA-N
Compound name
2-oxa-7-azaspiro[3.5]nonan-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

141.07898 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.08626 122.8
[M+Na]+ 164.06820 127.9
[M-H]- 140.07170 126.0
[M+NH4]+ 159.11280 136.7
[M+K]+ 180.04214 130.6
[M+H-H2O]+ 124.07624 112.8
[M+HCOO]- 186.07718 139.1
[M+CH3COO]- 200.09283 171.4
[M+Na-2H]- 162.05365 131.2
[M]+ 141.07843 126.2
[M]- 141.07953 126.2
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