CID 137965624

2230799-67-2

Structural Information

Molecular Formula
C14H22N2O5
SMILES
CC(C)(C)OC(=O)N1CC2(C1)[C@H]3CNC[C@]3(CO2)C(=O)O
InChI
InChI=1S/C14H22N2O5/c1-12(2,3)21-11(19)16-6-14(7-16)9-4-15-5-13(9,8-20-14)10(17)18/h9,15H,4-8H2,1-3H3,(H,17,18)/t9-,13+/m0/s1
InChIKey
SPPSXSKRCLNVBL-TVQRCGJNSA-N
Compound name
(3aR,6aR)-1'-[(2-methylpropan-2-yl)oxycarbonyl]spiro[3a,4,5,6-tetrahydro-1H-furo[3,4-c]pyrrole-3,3'-azetidine]-6a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.15286 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16014 170.5
[M+Na]+ 321.14208 170.4
[M+NH4]+ 316.18668 173.5
[M+K]+ 337.11602 171.5
[M-H]- 297.14558 165.2
[M+Na-2H]- 319.12753 168.2
[M]+ 298.15231 167.5
[M]- 298.15341 167.5
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

No patent data available for this compound.