CID 71305863

1391733-09-7

Structural Information

Molecular Formula
C12H19NO5
SMILES
CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](O[C@H]2C1)C(=O)O
InChI
InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-5-7-4-8(10(14)15)17-9(7)6-13/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8-,9+/m1/s1
InChIKey
UGAKGTGWUFGVMM-HLTSFMKQSA-N
Compound name
(2R,3aR,6aR)-5-[(2-methylpropan-2-yl)oxycarbonyl]-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

257.1263 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.13358 156.9
[M+Na]+ 280.11552 162.4
[M+NH4]+ 275.16012 161.9
[M+K]+ 296.08946 165.2
[M-H]- 256.11902 154.9
[M+Na-2H]- 278.10097 154.9
[M]+ 257.12575 156.5
[M]- 257.12685 156.5
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

patents stripe