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
2
Annotation Hits

0
References

11
Patents

340.19983 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.207106 178.4
[M+Na]+ 363.189048 183.8
[M-H]- 339.192554 182.1
[M+NH4]+ 358.233653 193.6
[M+K]+ 379.162988 184.5
[M+H-H2O]+ 323.197090 173.3
[M+HCOO]- 385.198031 195.3
[M+CH3COO]- 399.213681 216.0
[M+Na-2H]- 361.174496 177.2
[M]+ 340.19928142 183.1
[M]- 340.20037858 183.1
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