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 169.4
[M+Na]+ 321.14208 172.7
[M-H]- 297.14558 170.9
[M+NH4]+ 316.18668 181.2
[M+K]+ 337.11602 175.2
[M+H-H2O]+ 281.15012 161.6
[M+HCOO]- 343.15106 178.6
[M+CH3COO]- 357.16671 196.7
[M+Na-2H]- 319.12753 171.0
[M]+ 298.15231 176.4
[M]- 298.15341 176.4
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.