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]+ 258.133576 158.4
[M+Na]+ 280.115518 164.3
[M-H]- 256.119024 160.5
[M+NH4]+ 275.160123 178.4
[M+K]+ 296.089458 165.0
[M+H-H2O]+ 240.123560 155.1
[M+HCOO]- 302.124501 173.0
[M+CH3COO]- 316.140151 188.8
[M+Na-2H]- 278.100966 160.8
[M]+ 257.12575142 159.3
[M]- 257.12684858 159.3
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.