CID 55288359

Ethyl 3-methylazetidine-3-carboxylate

Structural Information

Molecular Formula
C7H13NO2
SMILES
CCOC(=O)C1(CNC1)C
InChI
InChI=1S/C7H13NO2/c1-3-10-6(9)7(2)4-8-5-7/h8H,3-5H2,1-2H3
InChIKey
VAJSPSBSLYLXJD-UHFFFAOYSA-N
Compound name
ethyl 3-methylazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

143.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.101916 132.0
[M+Na]+ 166.083858 137.6
[M-H]- 142.087364 132.9
[M+NH4]+ 161.128463 146.9
[M+K]+ 182.057798 140.0
[M+H-H2O]+ 126.091900 122.6
[M+HCOO]- 188.092841 150.7
[M+CH3COO]- 202.108491 174.6
[M+Na-2H]- 164.069306 137.5
[M]+ 143.09409142 139.8
[M]- 143.09518858 139.8
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