CID 853883

3392-10-7

Structural Information

Molecular Formula
C14H20N2O6
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C14H20N2O6/c1-14(2,3)21-13(20)15-8-4-5-9(15)12(19)22-16-10(17)6-7-11(16)18/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKey
DICWIJISMKZDDY-VIFPVBQESA-N
Compound name
1-O-tert-butyl 2-O-(2,5-dioxopyrrolidin-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

312.13214 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.139416 170.0
[M+Na]+ 335.121358 175.3
[M-H]- 311.124864 174.0
[M+NH4]+ 330.165963 185.2
[M+K]+ 351.095298 175.4
[M+H-H2O]+ 295.129400 163.8
[M+HCOO]- 357.130341 185.9
[M+CH3COO]- 371.145991 201.3
[M+Na-2H]- 333.106806 167.0
[M]+ 312.13159142 171.0
[M]- 312.13268858 171.0
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