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

44
Patents

143.09464 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 132.0
[M+Na]+ 166.08386 137.6
[M-H]- 142.08736 132.9
[M+NH4]+ 161.12846 146.9
[M+K]+ 182.05780 140.0
[M+H-H2O]+ 126.09190 122.6
[M+HCOO]- 188.09284 150.7
[M+CH3COO]- 202.10849 174.6
[M+Na-2H]- 164.06931 137.5
[M]+ 143.09409 139.8
[M]- 143.09519 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