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]+ 272.149246 161.7
[M+Na]+ 294.131188 169.5
[M-H]- 270.134694 167.3
[M+NH4]+ 289.175793 176.6
[M+K]+ 310.105128 169.3
[M+H-H2O]+ 254.139230 158.1
[M+HCOO]- 316.140171 179.7
[M+CH3COO]- 330.155821 200.3
[M+Na-2H]- 292.116636 166.7
[M]+ 271.14142142 169.4
[M]- 271.14251858 169.4
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.