CID 59559320

Methyl 3-hydroxyazetidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C5H9NO3
SMILES
COC(=O)C1(CNC1)O
InChI
InChI=1S/C5H9NO3/c1-9-4(7)5(8)2-6-3-5/h6,8H,2-3H2,1H3
InChIKey
ZDHBVCASMMWVMV-UHFFFAOYSA-N
Compound name
methyl 3-hydroxyazetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

131.05824 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.06552 127.0
[M+Na]+ 154.04746 132.8
[M-H]- 130.05096 126.8
[M+NH4]+ 149.09206 141.5
[M+K]+ 170.02140 135.3
[M+H-H2O]+ 114.05550 117.8
[M+HCOO]- 176.05644 145.0
[M+CH3COO]- 190.07209 168.2
[M+Na-2H]- 152.03291 132.9
[M]+ 131.05769 133.6
[M]- 131.05879 133.6
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