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]+ 274.164896 158.8
[M+Na]+ 296.146838 166.6
[M-H]- 272.150344 162.2
[M+NH4]+ 291.191443 177.1
[M+K]+ 312.120778 168.5
[M+H-H2O]+ 256.154880 155.2
[M+HCOO]- 318.155821 175.8
[M+CH3COO]- 332.171471 198.0
[M+Na-2H]- 294.132286 160.7
[M]+ 273.15707142 164.6
[M]- 273.15816858 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