CID 125511553

3-oxa-7,10-diazaspiro[5.6]dodecan-11-one

Structural Information

Molecular Formula
C9H16N2O2
SMILES
C1COCCC12CC(=O)NCCN2
InChI
InChI=1S/C9H16N2O2/c12-8-7-9(11-4-3-10-8)1-5-13-6-2-9/h11H,1-7H2,(H,10,12)
InChIKey
RUPQUGZZXCAFPY-UHFFFAOYSA-N
Compound name
3-oxa-7,10-diazaspiro[5.6]dodecan-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 139.0
[M+Na]+ 207.11041 141.1
[M-H]- 183.11391 139.5
[M+NH4]+ 202.15501 153.7
[M+K]+ 223.08435 142.7
[M+H-H2O]+ 167.11845 130.9
[M+HCOO]- 229.11939 150.0
[M+CH3COO]- 243.13504 148.1
[M+Na-2H]- 205.09586 144.5
[M]+ 184.12064 126.2
[M]- 184.12174 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

No patent data available for this compound.