CID 24729717

1260637-34-0

Structural Information

Molecular Formula
C13H21NO5
SMILES
CCOC(=O)C1(CC2C(C1)O2)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO5/c1-5-17-10(15)13(6-8-9(7-13)18-8)14-11(16)19-12(2,3)4/h8-9H,5-7H2,1-4H3,(H,14,16)
InChIKey
RJOKDPCWAVIFKW-UHFFFAOYSA-N
Compound name
ethyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.14197 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 163.7
[M+Na]+ 294.13119 171.5
[M+NH4]+ 289.17579 171.2
[M+K]+ 310.10513 170.6
[M-H]- 270.13469 170.4
[M+Na-2H]- 292.11664 167.5
[M]+ 271.14142 167.6
[M]- 271.14252 167.6
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.