CID 145867334

2288591-33-1

Structural Information

Molecular Formula
C11H19NO5
SMILES
CCOC1(CN(C1)C(=O)OC(C)(C)C)C(=O)O
InChI
InChI=1S/C11H19NO5/c1-5-16-11(8(13)14)6-12(7-11)9(15)17-10(2,3)4/h5-7H2,1-4H3,(H,13,14)
InChIKey
VLBJFRXQQPRLMV-UHFFFAOYSA-N
Compound name
3-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

245.12633 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.13361 159.7
[M+Na]+ 268.11555 162.4
[M+NH4]+ 263.16015 161.2
[M+K]+ 284.08949 160.8
[M-H]- 244.11905 153.5
[M+Na-2H]- 266.10100 159.1
[M]+ 245.12578 156.8
[M]- 245.12688 156.8
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