CID 155970826

4-tert-butyl 3-methyl 5,5-dimethylmorpholine-3,4-dicarboxylate

Structural Information

Molecular Formula
C13H23NO5
SMILES
CC1(COCC(N1C(=O)OC(C)(C)C)C(=O)OC)C
InChI
InChI=1S/C13H23NO5/c1-12(2,3)19-11(16)14-9(10(15)17-6)7-18-8-13(14,4)5/h9H,7-8H2,1-6H3
InChIKey
JTTARKNSICFFCW-UHFFFAOYSA-N
Compound name
4-O-tert-butyl 3-O-methyl 5,5-dimethylmorpholine-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.15762 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.16490 160.2
[M+Na]+ 296.14684 166.4
[M-H]- 272.15034 162.9
[M+NH4]+ 291.19144 176.4
[M+K]+ 312.12078 168.5
[M+H-H2O]+ 256.15488 155.3
[M+HCOO]- 318.15582 175.1
[M+CH3COO]- 332.17147 197.2
[M+Na-2H]- 294.13229 163.7
[M]+ 273.15707 163.7
[M]- 273.15817 163.7
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.