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

27
Patents

271.14197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 164.0
[M+Na]+ 294.131188 167.4
[M-H]- 270.134694 165.5
[M+NH4]+ 289.175793 172.5
[M+K]+ 310.105128 171.2
[M+H-H2O]+ 254.139230 152.4
[M+HCOO]- 316.140171 179.6
[M+CH3COO]- 330.155821 200.5
[M+Na-2H]- 292.116636 163.7
[M]+ 271.14142142 176.6
[M]- 271.14251858 176.6
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