CID 139022527

2343964-46-3

Structural Information

Molecular Formula
C13H19NO6
SMILES
CCOC(=O)[C@@H]1[C@H]([C@H]1N(C=O)C(=O)OC(C)(C)C)C=O
InChI
InChI=1S/C13H19NO6/c1-5-19-11(17)9-8(6-15)10(9)14(7-16)12(18)20-13(2,3)4/h6-10H,5H2,1-4H3/t8-,9-,10-/m1/s1
InChIKey
VXLDBRNEQKKZSU-OPRDCNLKSA-N
Compound name
ethyl (1R,2R,3R)-2-formyl-3-[formyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.12125 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12853 163.6
[M+Na]+ 308.11047 171.7
[M+NH4]+ 303.15507 168.0
[M+K]+ 324.08441 171.6
[M-H]- 284.11397 168.0
[M+Na-2H]- 306.09592 166.6
[M]+ 285.12070 166.6
[M]- 285.12180 166.6
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.