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]+ 244.11795 154.1
[M+Na]+ 266.09989 159.6
[M-H]- 242.10339 156.3
[M+NH4]+ 261.14449 165.9
[M+K]+ 282.07383 163.5
[M+H-H2O]+ 226.10793 144.6
[M+HCOO]- 288.10887 171.4
[M+CH3COO]- 302.12452 193.4
[M+Na-2H]- 264.08534 157.5
[M]+ 243.11012 167.1
[M]- 243.11122 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.