CID 11149935

1,2-di-tert-butyl pyrrolidine-1,2-dicarboxylate

Structural Information

Molecular Formula
C14H25NO4
SMILES
CC(C)(C)OC(=O)C1CCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C14H25NO4/c1-13(2,3)18-11(16)10-8-7-9-15(10)12(17)19-14(4,5)6/h10H,7-9H2,1-6H3
InChIKey
UMCYLERMBHATJC-UHFFFAOYSA-N
Compound name
ditert-butyl pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

271.17834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.185616 165.1
[M+Na]+ 294.167558 170.2
[M-H]- 270.171064 166.9
[M+NH4]+ 289.212163 182.3
[M+K]+ 310.141498 170.6
[M+H-H2O]+ 254.175600 160.0
[M+HCOO]- 316.176541 180.8
[M+CH3COO]- 330.192191 196.4
[M+Na-2H]- 292.153006 165.9
[M]+ 271.17779142 167.4
[M]- 271.17888858 167.4
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