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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	299.160136	169.4
[M+Na]+	321.142078	172.7
[M-H]-	297.145584	170.9
[M+NH4]+	316.186683	181.2
[M+K]+	337.116018	175.2
[M+H-H2O]+	281.150120	161.6
[M+HCOO]-	343.151061	178.6
[M+CH3COO]-	357.166711	196.7
[M+Na-2H]-	319.127526	171.0
[M]+	298.15231142	176.4
[M]-	298.15340858	176.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.