CID 70303605

1025029-60-0

Structural Information

Molecular Formula
C13H21NO5
SMILES
CCOC(=O)CC(=O)C1CN(C1)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H21NO5/c1-5-18-11(16)6-10(15)9-7-14(8-9)12(17)19-13(2,3)4/h9H,5-8H2,1-4H3
InChIKey
CVLHLSSKQJCGIY-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-ethoxy-3-oxopropanoyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

271.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.14925 167.2
[M+Na]+ 294.13119 169.6
[M+NH4]+ 289.17579 167.0
[M+K]+ 310.10513 169.6
[M-H]- 270.13469 161.0
[M+Na-2H]- 292.11664 164.6
[M]+ 271.14142 164.1
[M]- 271.14252 164.1
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

patents stripe