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 164.0
[M+Na]+ 294.13119 167.4
[M-H]- 270.13469 165.5
[M+NH4]+ 289.17579 172.5
[M+K]+ 310.10513 171.2
[M+H-H2O]+ 254.13923 152.4
[M+HCOO]- 316.14017 179.6
[M+CH3COO]- 330.15582 200.5
[M+Na-2H]- 292.11664 163.7
[M]+ 271.14142 176.6
[M]- 271.14252 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