CID 122155788

1,4-di-tert-butyl 2-oxoimidazolidine-1,4-dicarboxylate

Structural Information

Molecular Formula
C13H22N2O5
SMILES
CC(C)(C)OC(=O)C1CN(C(=O)N1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H22N2O5/c1-12(2,3)19-9(16)8-7-15(10(17)14-8)11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,17)
InChIKey
IOIRUGCWQKEXPJ-UHFFFAOYSA-N
Compound name
ditert-butyl 2-oxoimidazolidine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.15286 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.16014 166.1
[M+Na]+ 309.14208 172.2
[M-H]- 285.14558 165.8
[M+NH4]+ 304.18668 180.8
[M+K]+ 325.11602 172.0
[M+H-H2O]+ 269.15012 160.9
[M+HCOO]- 331.15106 179.7
[M+CH3COO]- 345.16671 196.2
[M+Na-2H]- 307.12753 166.7
[M]+ 286.15231 167.8
[M]- 286.15341 167.8
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

No patent data available for this compound.