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]+ 199.10773 135.7
[M+Na]+ 221.08967 140.1
[M-H]- 197.09317 138.7
[M+NH4]+ 216.13427 147.7
[M+K]+ 237.06361 142.5
[M+H-H2O]+ 181.09771 125.5
[M+HCOO]- 243.09865 147.1
[M+CH3COO]- 257.11430 146.3
[M+Na-2H]- 219.07512 142.3
[M]+ 198.09990 137.2
[M]- 198.10100 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.