CID 165941629

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

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1C[C@H](O[C@H]1C2=CC=NN2)C(=O)O
InChI
InChI=1S/C8H10N2O3/c11-8(12)7-2-1-6(13-7)5-3-4-9-10-5/h3-4,6-7H,1-2H2,(H,9,10)(H,11,12)/t6-,7+/m1/s1
InChIKey
OLBCRBGSWIOWED-RQJHMYQMSA-N
Compound name
(2S,5R)-5-(1H-pyrazol-5-yl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 138.3
[M+Na]+ 205.05836 147.0
[M+NH4]+ 200.10296 144.6
[M+K]+ 221.03230 147.8
[M-H]- 181.06186 139.0
[M+Na-2H]- 203.04381 141.3
[M]+ 182.06859 139.2
[M]- 182.06969 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.