CID 165831767

2-(1,3-dimethyl-1h-pyrazol-4-yl)oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C10H14N2O3
SMILES
CC1=NN(C=C1C2(CCCO2)C(=O)O)C
InChI
InChI=1S/C10H14N2O3/c1-7-8(6-12(2)11-7)10(9(13)14)4-3-5-15-10/h6H,3-5H2,1-2H3,(H,13,14)
InChIKey
VZQJXJMRBCMQGA-UHFFFAOYSA-N
Compound name
2-(1,3-dimethylpyrazol-4-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.107726 143.7
[M+Na]+ 233.089668 152.0
[M-H]- 209.093174 147.7
[M+NH4]+ 228.134273 163.3
[M+K]+ 249.063608 151.6
[M+H-H2O]+ 193.097710 137.9
[M+HCOO]- 255.098651 162.9
[M+CH3COO]- 269.114301 181.8
[M+Na-2H]- 231.075116 145.9
[M]+ 210.09990142 144.0
[M]- 210.10099858 144.0
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.