CID 124254791

1807939-18-9

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC1=C(C(=NN1C)C)[C@H]2[C@@H](CCO2)C(=O)O
InChI
InChI=1S/C11H16N2O3/c1-6-9(7(2)13(3)12-6)10-8(11(14)15)4-5-16-10/h8,10H,4-5H2,1-3H3,(H,14,15)/t8-,10-/m1/s1
InChIKey
VOHQSEWJVVPGDD-PSASIEDQSA-N
Compound name
(2R,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 149.7
[M+Na]+ 247.105308 158.4
[M-H]- 223.108814 154.0
[M+NH4]+ 242.149913 167.3
[M+K]+ 263.079248 157.5
[M+H-H2O]+ 207.113350 143.6
[M+HCOO]- 269.114291 168.5
[M+CH3COO]- 283.129941 187.7
[M+Na-2H]- 245.090756 148.7
[M]+ 224.11554142 150.8
[M]- 224.11663858 150.8
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.