CID 368693

Nsc639825

Structural Information

Molecular Formula
C11H15NO7
SMILES
CCOC(=O)NC1C2CC(=O)OC(C1OC(=O)C)O2
InChI
InChI=1S/C11H15NO7/c1-3-16-11(15)12-8-6-4-7(14)19-10(18-6)9(8)17-5(2)13/h6,8-10H,3-4H2,1-2H3,(H,12,15)
InChIKey
OVZBJPNETDXDFI-UHFFFAOYSA-N
Compound name
[6-(ethoxycarbonylamino)-3-oxo-2,8-dioxabicyclo[3.2.1]octan-7-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.08484 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09212 156.0
[M+Na]+ 296.07406 161.8
[M-H]- 272.07756 159.8
[M+NH4]+ 291.11866 172.6
[M+K]+ 312.04800 164.3
[M+H-H2O]+ 256.08210 151.2
[M+HCOO]- 318.08304 173.4
[M+CH3COO]- 332.09869 198.9
[M+Na-2H]- 294.05951 159.7
[M]+ 273.08429 160.6
[M]- 273.08539 160.6
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.