CID 162394355

Rel-(3as,6ar)-5-(tert-butoxycarbonyl)hexahydro-3ah-furo[2,3-c]pyrrole-3a-carboxylic acid

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1C[C@H]2[C@@](C1)(CCO2)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-11(2,3)18-10(16)13-6-8-12(7-13,9(14)15)4-5-17-8/h8H,4-7H2,1-3H3,(H,14,15)/t8-,12-/m0/s1
InChIKey
FBETXKGOEYEMJB-UFBFGSQYSA-N
Compound name
(3aS,6aR)-5-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,6,6a-tetrahydro-2H-furo[2,3-c]pyrrole-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1263 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 156.7
[M+Na]+ 280.11552 161.9
[M+NH4]+ 275.16012 163.2
[M+K]+ 296.08946 162.8
[M-H]- 256.11902 154.5
[M+Na-2H]- 278.10097 156.6
[M]+ 257.12575 156.4
[M]- 257.12685 156.4
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.