CID 124709996

Rac-(2r,3r)-2-(1-benzyl-1h-pyrazol-5-yl)oxolane-3-carboxylic acid

Structural Information

Molecular Formula
C15H16N2O3
SMILES
C1CO[C@H]([C@@H]1C(=O)O)C2=CC=NN2CC3=CC=CC=C3
InChI
InChI=1S/C15H16N2O3/c18-15(19)12-7-9-20-14(12)13-6-8-16-17(13)10-11-4-2-1-3-5-11/h1-6,8,12,14H,7,9-10H2,(H,18,19)/t12-,14-/m1/s1
InChIKey
QTVVJRZSEMUYQK-TZMCWYRMSA-N
Compound name
(2R,3R)-2-(2-benzylpyrazol-3-yl)oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1161 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.123376 160.8
[M+Na]+ 295.105318 167.1
[M-H]- 271.108824 167.5
[M+NH4]+ 290.149923 175.3
[M+K]+ 311.079258 164.9
[M+H-H2O]+ 255.113360 152.6
[M+HCOO]- 317.114301 179.7
[M+CH3COO]- 331.129951 172.1
[M+Na-2H]- 293.090766 160.9
[M]+ 272.11555142 160.0
[M]- 272.11664858 160.0
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.