CID 154577286

2418733-75-0

Structural Information

Molecular Formula
C12H19NO6
SMILES
CC(C)(C)OC(=O)N1CCC1(C(=O)OC)C(=O)OC
InChI
InChI=1S/C12H19NO6/c1-11(2,3)19-10(16)13-7-6-12(13,8(14)17-4)9(15)18-5/h6-7H2,1-5H3
InChIKey
GDKOGMDBTRRNPE-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O,2-O'-dimethyl azetidine-1,2,2-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.12125 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12853 161.6
[M+Na]+ 296.11047 166.1
[M-H]- 272.11397 163.6
[M+NH4]+ 291.15507 172.0
[M+K]+ 312.08441 171.0
[M+H-H2O]+ 256.11851 151.8
[M+HCOO]- 318.11945 177.7
[M+CH3COO]- 332.13510 198.6
[M+Na-2H]- 294.09592 163.4
[M]+ 273.12070 175.5
[M]- 273.12180 175.5
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.