CID 11427789

166410-06-6

Structural Information

Molecular Formula
C17H28N2O5
SMILES
CC(C)(C)OC(=O)[C@@H]1/C(=C\N(C)C)/C(=O)CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C17H28N2O5/c1-16(2,3)23-14(21)13-11(9-18(7)8)12(20)10-19(13)15(22)24-17(4,5)6/h9,13H,10H2,1-8H3/b11-9-/t13-/m0/s1
InChIKey
PPZKPPCVXOWYLX-FUWURINLSA-N
Compound name
ditert-butyl (2S,3E)-3-(dimethylaminomethylidene)-4-oxopyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

340.19983 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.20711 179.2
[M+Na]+ 363.18905 183.9
[M+NH4]+ 358.23365 181.8
[M+K]+ 379.16299 185.2
[M-H]- 339.19255 175.5
[M+Na-2H]- 361.17450 177.9
[M]+ 340.19928 178.2
[M]- 340.20038 178.2
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

patents stripe