CID 11184820

253265-97-3

Structural Information

Molecular Formula
C11H13NO7
SMILES
C1CO[C@H]2[C@@H]1[C@H](CO2)OC(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C11H13NO7/c13-8-1-2-9(14)12(8)19-11(15)18-7-5-17-10-6(7)3-4-16-10/h6-7,10H,1-5H2/t6-,7-,10+/m0/s1
InChIKey
VCFNCYVHQSHFRH-MHYGZLNHSA-N
Compound name
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] (2,5-dioxopyrrolidin-1-yl) carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

271.0692 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.07648 154.7
[M+Na]+ 294.05842 160.9
[M-H]- 270.06192 162.2
[M+NH4]+ 289.10302 172.7
[M+K]+ 310.03236 163.2
[M+H-H2O]+ 254.06646 151.1
[M+HCOO]- 316.06740 172.6
[M+CH3COO]- 330.08305 192.0
[M+Na-2H]- 292.04387 154.1
[M]+ 271.06865 157.0
[M]- 271.06975 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe