CID 21717027

Ethyl azetidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
CCOC(=O)C1CNC1
InChI
InChI=1S/C6H11NO2/c1-2-9-6(8)5-3-7-4-5/h5,7H,2-4H2,1H3
InChIKey
CMXMEUUHZBOBGZ-UHFFFAOYSA-N
Compound name
ethyl azetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

129.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 126.0
[M+Na]+ 152.068198 131.1
[M-H]- 128.071704 126.6
[M+NH4]+ 147.112803 139.5
[M+K]+ 168.042138 133.8
[M+H-H2O]+ 112.076240 115.3
[M+HCOO]- 174.077181 145.0
[M+CH3COO]- 188.092831 172.1
[M+Na-2H]- 150.053646 131.0
[M]+ 129.07843142 133.1
[M]- 129.07952858 133.1
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