CID 72208237

3-methoxyazetidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H9NO3
SMILES
COC1(CNC1)C(=O)O
InChI
InChI=1S/C5H9NO3/c1-9-5(4(7)8)2-6-3-5/h6H,2-3H2,1H3,(H,7,8)
InChIKey
SYOIGABPTOWTOE-UHFFFAOYSA-N
Compound name
3-methoxyazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.05824 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 127.9
[M+Na]+ 154.04746 132.3
[M+NH4]+ 149.09206 131.8
[M+K]+ 170.02140 129.4
[M-H]- 130.05096 123.5
[M+Na-2H]- 152.03291 129.8
[M]+ 131.05769 125.8
[M]- 131.05879 125.8
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

No patent data available for this compound.