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

277
Patents

129.07898 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 126.0
[M+Na]+ 152.06820 131.1
[M-H]- 128.07170 126.6
[M+NH4]+ 147.11280 139.5
[M+K]+ 168.04214 133.8
[M+H-H2O]+ 112.07624 115.3
[M+HCOO]- 174.07718 145.0
[M+CH3COO]- 188.09283 172.1
[M+Na-2H]- 150.05365 131.0
[M]+ 129.07843 133.1
[M]- 129.07953 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