CID 122155804

Rac-(2r,3r)-2-(1-methyl-1h-imidazol-2-yl)oxane-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CN1C=CN=C1[C@H]2[C@@H](CCCO2)C(=O)O
InChI
InChI=1S/C10H14N2O3/c1-12-5-4-11-9(12)8-7(10(13)14)3-2-6-15-8/h4-5,7-8H,2-3,6H2,1H3,(H,13,14)/t7-,8-/m1/s1
InChIKey
ZXIAJBNMKHBFHL-HTQZYQBOSA-N
Compound name
(2R,3R)-2-(1-methylimidazol-2-yl)oxane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.107726 145.7
[M+Na]+ 233.089668 152.2
[M-H]- 209.093174 148.8
[M+NH4]+ 228.134273 161.3
[M+K]+ 249.063608 151.4
[M+H-H2O]+ 193.097710 138.2
[M+HCOO]- 255.098651 162.6
[M+CH3COO]- 269.114301 182.3
[M+Na-2H]- 231.075116 147.9
[M]+ 210.09990142 143.4
[M]- 210.10099858 143.4
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.