CID 57415897

1011479-75-6

Structural Information

Molecular Formula
C14H23NO6
SMILES
CCOC(=O)C1(CN(C1)C(=O)OC(C)(C)C)C(=O)OCC
InChI
InChI=1S/C14H23NO6/c1-6-19-10(16)14(11(17)20-7-2)8-15(9-14)12(18)21-13(3,4)5/h6-9H2,1-5H3
InChIKey
FYUPJGXEWFMXHW-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O,3-O'-diethyl azetidine-1,3,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

301.15253 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15981 174.4
[M+Na]+ 324.14175 176.3
[M+NH4]+ 319.18635 174.8
[M+K]+ 340.11569 174.9
[M-H]- 300.14525 167.6
[M+Na-2H]- 322.12720 172.7
[M]+ 301.15198 171.2
[M]- 301.15308 171.2
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