CID 24840729

Brn 0142304

Structural Information

Molecular Formula
C8H11NO3
SMILES
C1CCC2(C1)COC(=O)NC2=O
InChI
InChI=1S/C8H11NO3/c10-6-8(3-1-2-4-8)5-12-7(11)9-6/h1-5H2,(H,9,10,11)
InChIKey
PHPJKYHMPCUZFL-UHFFFAOYSA-N
Compound name
7-oxa-9-azaspiro[4.5]decane-8,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 134.0
[M+Na]+ 192.06312 140.6
[M-H]- 168.06662 137.1
[M+NH4]+ 187.10772 154.8
[M+K]+ 208.03706 139.6
[M+H-H2O]+ 152.07116 128.6
[M+HCOO]- 214.07210 151.1
[M+CH3COO]- 228.08775 171.2
[M+Na-2H]- 190.04857 139.2
[M]+ 169.07335 128.2
[M]- 169.07445 128.2
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

No patent data available for this compound.