CID 165880790

Methyl2-(3-ethoxyazetidin-3-yl)acetatehydrochloride

Structural Information

Molecular Formula
C8H15NO3
SMILES
CCOC1(CNC1)CC(=O)OC
InChI
InChI=1S/C8H15NO3/c1-3-12-8(5-9-6-8)4-7(10)11-2/h9H,3-6H2,1-2H3
InChIKey
AHFWYRCLHKSKKY-UHFFFAOYSA-N
Compound name
methyl 2-(3-ethoxyazetidin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.1052 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 138.9
[M+Na]+ 196.09442 143.8
[M-H]- 172.09792 139.5
[M+NH4]+ 191.13902 152.5
[M+K]+ 212.06836 146.6
[M+H-H2O]+ 156.10246 129.0
[M+HCOO]- 218.10340 157.4
[M+CH3COO]- 232.11905 179.5
[M+Na-2H]- 194.07987 143.9
[M]+ 173.10465 148.4
[M]- 173.10575 148.4
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.