CID 11346670

(s)-di-tert-butyl 4-oxopyrrolidine-1,2-dicarboxylate

Structural Information

Molecular Formula
C14H23NO5
SMILES
CC(C)(C)OC(=O)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C
InChI
InChI=1S/C14H23NO5/c1-13(2,3)19-11(17)10-7-9(16)8-15(10)12(18)20-14(4,5)6/h10H,7-8H2,1-6H3/t10-/m0/s1
InChIKey
MPNWQUWKRDADHK-JTQLQIEISA-N
Compound name
ditert-butyl (2S)-4-oxopyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

285.15762 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16490 164.8
[M+Na]+ 308.14684 171.0
[M-H]- 284.15034 167.1
[M+NH4]+ 303.19144 181.6
[M+K]+ 324.12078 171.4
[M+H-H2O]+ 268.15488 160.1
[M+HCOO]- 330.15582 180.9
[M+CH3COO]- 344.17147 198.9
[M+Na-2H]- 306.13229 165.5
[M]+ 285.15707 168.3
[M]- 285.15817 168.3
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