CID 139022430

2167326-05-6

Structural Information

Molecular Formula
C11H17NO5
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C=O)C(=O)OC
InChI
InChI=1S/C11H17NO5/c1-10(2,3)17-9(15)12-5-11(6-12,7-13)8(14)16-4/h7H,5-6H2,1-4H3
InChIKey
NPKGIVAJUIUSND-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 3-formylazetidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.11067 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.117946 154.1
[M+Na]+ 266.099888 159.6
[M-H]- 242.103394 156.3
[M+NH4]+ 261.144493 165.9
[M+K]+ 282.073828 163.5
[M+H-H2O]+ 226.107930 144.6
[M+HCOO]- 288.108871 171.4
[M+CH3COO]- 302.124521 193.4
[M+Na-2H]- 264.085336 157.5
[M]+ 243.11012142 167.1
[M]- 243.11121858 167.1
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.