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 126.8
[M+Na]+ 154.04746 132.5
[M-H]- 130.05096 126.5
[M+NH4]+ 149.09206 141.2
[M+K]+ 170.02140 135.0
[M+H-H2O]+ 114.05550 117.5
[M+HCOO]- 176.05644 144.8
[M+CH3COO]- 190.07209 168.8
[M+Na-2H]- 152.03291 132.7
[M]+ 131.05769 133.5
[M]- 131.05879 133.5
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.