CID 119056814

Rac-(2r,3r)-2-(1-methyl-1h-pyrazol-5-yl)oxane-3-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CN1C(=CC=N1)[C@H]2[C@@H](CCCO2)C(=O)O
InChI
InChI=1S/C10H14N2O3/c1-12-8(4-5-11-12)9-7(10(13)14)3-2-6-15-9/h4-5,7,9H,2-3,6H2,1H3,(H,13,14)/t7-,9-/m1/s1
InChIKey
DEWRNFXTBYEBJE-VXNVDRBHSA-N
Compound name
(2R,3R)-2-(2-methylpyrazol-3-yl)oxane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.10773 145.7
[M+Na]+ 233.08967 152.2
[M-H]- 209.09317 148.8
[M+NH4]+ 228.13427 161.3
[M+K]+ 249.06361 151.4
[M+H-H2O]+ 193.09771 138.2
[M+HCOO]- 255.09865 162.6
[M+CH3COO]- 269.11430 182.3
[M+Na-2H]- 231.07512 147.9
[M]+ 210.09990 143.4
[M]- 210.10100 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.