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 178.4
[M+Na]+ 363.18905 183.8
[M-H]- 339.19255 182.1
[M+NH4]+ 358.23365 193.6
[M+K]+ 379.16299 184.5
[M+H-H2O]+ 323.19709 173.3
[M+HCOO]- 385.19803 195.3
[M+CH3COO]- 399.21368 216.0
[M+Na-2H]- 361.17450 177.2
[M]+ 340.19928 183.1
[M]- 340.20038 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