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]+ 174.112476 138.9
[M+Na]+ 196.094418 143.8
[M-H]- 172.097924 139.5
[M+NH4]+ 191.139023 152.5
[M+K]+ 212.068358 146.6
[M+H-H2O]+ 156.102460 129.0
[M+HCOO]- 218.103401 157.4
[M+CH3COO]- 232.119051 179.5
[M+Na-2H]- 194.079866 143.9
[M]+ 173.10465142 148.4
[M]- 173.10574858 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.