CID 43810963

3-tert-butyl 4-methyl 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC1C(N(C(O1)(C)C)C(=O)OC(C)(C)C)C(=O)OC
InChI
InChI=1S/C13H23NO5/c1-8-9(10(15)17-7)14(13(5,6)18-8)11(16)19-12(2,3)4/h8-9H,1-7H3
InChIKey
FRSJJRXFHYGDSO-UHFFFAOYSA-N
Compound name
3-O-tert-butyl 4-O-methyl 2,2,5-trimethyl-1,3-oxazolidine-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

273.15762 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 158.8
[M+Na]+ 296.14684 166.6
[M-H]- 272.15034 162.2
[M+NH4]+ 291.19144 177.1
[M+K]+ 312.12078 168.5
[M+H-H2O]+ 256.15488 155.2
[M+HCOO]- 318.15582 175.8
[M+CH3COO]- 332.17147 198.0
[M+Na-2H]- 294.13229 160.7
[M]+ 273.15707 164.6
[M]- 273.15817 164.6
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