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]+ 287.160136 166.1
[M+Na]+ 309.142078 172.2
[M-H]- 285.145584 165.8
[M+NH4]+ 304.186683 180.8
[M+K]+ 325.116018 172.0
[M+H-H2O]+ 269.150120 160.9
[M+HCOO]- 331.151061 179.7
[M+CH3COO]- 345.166711 196.2
[M+Na-2H]- 307.127526 166.7
[M]+ 286.15231142 167.8
[M]- 286.15340858 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.