CID 82406617

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

Structural Information

Molecular Formula
C9H16N2O2
SMILES
C1CNC2(CCOCC2)CNC1=O
InChI
InChI=1S/C9H16N2O2/c12-8-1-4-11-9(7-10-8)2-5-13-6-3-9/h11H,1-7H2,(H,10,12)
InChIKey
YIEOTAFBSOPRRN-UHFFFAOYSA-N
Compound name
3-oxa-7,11-diazaspiro[5.6]dodecan-10-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]+ 185.128466 139.0
[M+Na]+ 207.110408 141.1
[M-H]- 183.113914 139.5
[M+NH4]+ 202.155013 153.7
[M+K]+ 223.084348 142.7
[M+H-H2O]+ 167.118450 130.9
[M+HCOO]- 229.119391 150.0
[M+CH3COO]- 243.135041 148.1
[M+Na-2H]- 205.095856 144.5
[M]+ 184.12064142 126.2
[M]- 184.12173858 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.