CID 130510351

Methyl 2-(azetidin-3-yl)-2-hydroxyacetate hydrochloride

Structural Information

Molecular Formula
C6H11NO3
SMILES
COC(=O)C(C1CNC1)O
InChI
InChI=1S/C6H11NO3/c1-10-6(9)5(8)4-2-7-3-4/h4-5,7-8H,2-3H2,1H3
InChIKey
SXDMCDITLJHWOE-UHFFFAOYSA-N
Compound name
methyl 2-(azetidin-3-yl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.0739 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 131.7
[M+Na]+ 168.063118 135.8
[M-H]- 144.066624 130.9
[M+NH4]+ 163.107723 143.5
[M+K]+ 184.037058 138.6
[M+H-H2O]+ 128.071160 120.7
[M+HCOO]- 190.072101 148.3
[M+CH3COO]- 204.087751 172.4
[M+Na-2H]- 166.048566 134.6
[M]+ 145.07335142 137.6
[M]- 145.07444858 137.6
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

No patent data available for this compound.