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

28
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 171.0
[M+Na]+ 324.14175 174.6
[M-H]- 300.14525 172.6
[M+NH4]+ 319.18635 180.2
[M+K]+ 340.11569 179.1
[M+H-H2O]+ 284.14979 160.8
[M+HCOO]- 346.15073 186.4
[M+CH3COO]- 360.16638 204.3
[M+Na-2H]- 322.12720 171.7
[M]+ 301.15198 185.6
[M]- 301.15308 185.6
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