CID 494650

Nsc628438

Structural Information

Molecular Formula
C10H15NO5
SMILES
CCOC(=O)NC1C2CC(=O)C(C1OC)O2
InChI
InChI=1S/C10H15NO5/c1-3-15-10(13)11-7-6-4-5(12)8(16-6)9(7)14-2/h6-9H,3-4H2,1-2H3,(H,11,13)
InChIKey
IRWGJTXPSLHVCV-UHFFFAOYSA-N
Compound name
ethyl N-(3-methoxy-5-oxo-7-oxabicyclo[2.2.1]heptan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09502 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.10230 148.1
[M+Na]+ 252.08424 155.3
[M-H]- 228.08774 151.9
[M+NH4]+ 247.12884 170.0
[M+K]+ 268.05818 156.0
[M+H-H2O]+ 212.09228 144.4
[M+HCOO]- 274.09322 169.5
[M+CH3COO]- 288.10887 191.2
[M+Na-2H]- 250.06969 151.1
[M]+ 229.09447 152.3
[M]- 229.09557 152.3
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.