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 137.3
[M+Na]+ 205.05836 144.0
[M-H]- 181.06186 139.5
[M+NH4]+ 200.10296 154.8
[M+K]+ 221.03230 143.1
[M+H-H2O]+ 165.06640 130.6
[M+HCOO]- 227.06734 155.5
[M+CH3COO]- 241.08299 172.6
[M+Na-2H]- 203.04381 139.3
[M]+ 182.06859 134.2
[M]- 182.06969 134.2
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.