CID 560293

Methyl 3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C5H9NO3
SMILES
COC(=O)N1CC(C1)O
InChI
InChI=1S/C5H9NO3/c1-9-5(8)6-2-4(7)3-6/h4,7H,2-3H2,1H3
InChIKey
PDCPSVRSNHMDJH-UHFFFAOYSA-N
Compound name
methyl 3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

131.05824 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 123.7
[M+Na]+ 154.047458 130.0
[M-H]- 130.050964 124.8
[M+NH4]+ 149.092063 137.3
[M+K]+ 170.021398 133.4
[M+H-H2O]+ 114.055500 113.3
[M+HCOO]- 176.056441 143.2
[M+CH3COO]- 190.072091 171.6
[M+Na-2H]- 152.032906 128.5
[M]+ 131.05769142 132.1
[M]- 131.05878858 132.1
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