CID 125528761

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

Structural Information

Molecular Formula
C15H16N2O4
SMILES
COC1=CC=CC=C1N2C(=CC=N2)[C@H]3[C@@H](CCO3)C(=O)O
InChI
InChI=1S/C15H16N2O4/c1-20-13-5-3-2-4-11(13)17-12(6-8-16-17)14-10(15(18)19)7-9-21-14/h2-6,8,10,14H,7,9H2,1H3,(H,18,19)/t10-,14-/m1/s1
InChIKey
LKZFHZFZEGGBQH-QMTHXVAHSA-N
Compound name
(2R,3R)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]oxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 163.4
[M+Na]+ 311.10022 170.4
[M-H]- 287.10372 170.5
[M+NH4]+ 306.14482 177.4
[M+K]+ 327.07416 168.8
[M+H-H2O]+ 271.10826 155.5
[M+HCOO]- 333.10920 182.5
[M+CH3COO]- 347.12485 196.4
[M+Na-2H]- 309.08567 163.0
[M]+ 288.11045 164.4
[M]- 288.11155 164.4
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.