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]+ 142.086256 122.8
[M+Na]+ 164.068198 127.9
[M-H]- 140.071704 126.0
[M+NH4]+ 159.112803 136.7
[M+K]+ 180.042138 130.6
[M+H-H2O]+ 124.076240 112.8
[M+HCOO]- 186.077181 139.1
[M+CH3COO]- 200.092831 171.4
[M+Na-2H]- 162.053646 131.2
[M]+ 141.07843142 126.2
[M]- 141.07952858 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