CID 137963980

2225144-03-4

Structural Information

Molecular Formula
C9H14N2O3
SMILES
C1COCCC12C3(CNC3)OC(=O)N2
InChI
InChI=1S/C9H14N2O3/c12-7-11-8(1-3-13-4-2-8)9(14-7)5-10-6-9/h10H,1-6H2,(H,11,12)
InChIKey
VYLYDBUMNXTJNN-UHFFFAOYSA-N
Compound name
8,13-dioxa-2,11-diazadispiro[3.0.55.34]tridecan-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.10045 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 135.7
[M+Na]+ 221.089668 140.1
[M-H]- 197.093174 138.7
[M+NH4]+ 216.134273 147.7
[M+K]+ 237.063608 142.5
[M+H-H2O]+ 181.097710 125.5
[M+HCOO]- 243.098651 147.1
[M+CH3COO]- 257.114301 146.3
[M+Na-2H]- 219.075116 142.3
[M]+ 198.09990142 137.2
[M]- 198.10099858 137.2
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.