CID 125041879

Ethyl 2-(3-hydroxyazetidin-3-yl)acetate hydrochloride

Structural Information

Molecular Formula
C7H13NO3
SMILES
CCOC(=O)CC1(CNC1)O
InChI
InChI=1S/C7H13NO3/c1-2-11-6(9)3-7(10)4-8-5-7/h8,10H,2-5H2,1H3
InChIKey
QGYOYSNYGPBMAT-UHFFFAOYSA-N
Compound name
ethyl 2-(3-hydroxyazetidin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

159.08954 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.096816 136.2
[M+Na]+ 182.078758 141.1
[M-H]- 158.082264 135.5
[M+NH4]+ 177.123363 149.6
[M+K]+ 198.052698 143.1
[M+H-H2O]+ 142.086800 126.5
[M+HCOO]- 204.087741 153.5
[M+CH3COO]- 218.103391 174.0
[M+Na-2H]- 180.064206 141.0
[M]+ 159.08899142 143.4
[M]- 159.09008858 143.4
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

patents stripe