CID 125424158

Rac-(3ar,6ar)-5-[(tert-butoxy)carbonyl]-hexahydro-2h-furo[2,3-c]pyrrole-6a-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1263 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 158.4
[M+Na]+ 280.11552 164.3
[M-H]- 256.11902 160.5
[M+NH4]+ 275.16012 178.4
[M+K]+ 296.08946 165.0
[M+H-H2O]+ 240.12356 155.1
[M+HCOO]- 302.12450 173.0
[M+CH3COO]- 316.14015 188.8
[M+Na-2H]- 278.10097 160.8
[M]+ 257.12575 159.3
[M]- 257.12685 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.