CID 688220

3-tert-butyl 4-methyl (4r)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate

Structural Information

Molecular Formula
C12H21NO5
SMILES
CC1(N([C@H](CO1)C(=O)OC)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C12H21NO5/c1-11(2,3)18-10(15)13-8(9(14)16-6)7-17-12(13,4)5/h8H,7H2,1-6H3/t8-/m1/s1
InChIKey
ZNBUXTFASGDVCL-MRVPVSSYSA-N
Compound name
3-O-tert-butyl 4-O-methyl (4R)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

312
Patents

259.14197 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.14925 155.7
[M+Na]+ 282.13119 163.1
[M-H]- 258.13469 158.9
[M+NH4]+ 277.17579 174.3
[M+K]+ 298.10513 165.1
[M+H-H2O]+ 242.13923 151.8
[M+HCOO]- 304.14017 173.0
[M+CH3COO]- 318.15582 193.7
[M+Na-2H]- 280.11664 158.6
[M]+ 259.14142 160.8
[M]- 259.14252 160.8
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