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]+ 274.164896 160.2
[M+Na]+ 296.146838 166.4
[M-H]- 272.150344 162.9
[M+NH4]+ 291.191443 176.4
[M+K]+ 312.120778 168.5
[M+H-H2O]+ 256.154880 155.3
[M+HCOO]- 318.155821 175.1
[M+CH3COO]- 332.171471 197.2
[M+Na-2H]- 294.132286 163.7
[M]+ 273.15707142 163.7
[M]- 273.15816858 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.