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

22
Patents

131.05824 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 123.7
[M+Na]+ 154.04746 130.0
[M-H]- 130.05096 124.8
[M+NH4]+ 149.09206 137.3
[M+K]+ 170.02140 133.4
[M+H-H2O]+ 114.05550 113.3
[M+HCOO]- 176.05644 143.2
[M+CH3COO]- 190.07209 171.6
[M+Na-2H]- 152.03291 128.5
[M]+ 131.05769 132.1
[M]- 131.05879 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