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

13
Patents

159.08954 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 136.2
[M+Na]+ 182.07876 141.1
[M-H]- 158.08226 135.5
[M+NH4]+ 177.12336 149.6
[M+K]+ 198.05270 143.1
[M+H-H2O]+ 142.08680 126.5
[M+HCOO]- 204.08774 153.5
[M+CH3COO]- 218.10339 174.0
[M+Na-2H]- 180.06421 141.0
[M]+ 159.08899 143.4
[M]- 159.09009 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