CID 139022527

Rac-ethyl (1r,2r,3r)-2-{n-[(tert-butoxy)carbonyl]formamido}-3-formylcyclopropane-1-carboxylate

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 162.9
[M+Na]+ 308.11047 171.3
[M-H]- 284.11397 169.0
[M+NH4]+ 303.15507 174.9
[M+K]+ 324.08441 170.2
[M+H-H2O]+ 268.11851 157.2
[M+HCOO]- 330.11945 184.7
[M+CH3COO]- 344.13510 207.6
[M+Na-2H]- 306.09592 164.3
[M]+ 285.12070 173.1
[M]- 285.12180 173.1
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.