CID 84732436

1-(oxolan-3-yl)-1h-pyrazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1COCC1N2C(=CC=N2)C(=O)O
InChI
InChI=1S/C8H10N2O3/c11-8(12)7-1-3-9-10(7)6-2-4-13-5-6/h1,3,6H,2,4-5H2,(H,11,12)
InChIKey
YDYBQGJFENRJMP-UHFFFAOYSA-N
Compound name
2-(oxolan-3-yl)pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

182.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 136.6
[M+Na]+ 205.058358 143.7
[M-H]- 181.061864 140.1
[M+NH4]+ 200.102963 154.8
[M+K]+ 221.032298 143.7
[M+H-H2O]+ 165.066400 129.7
[M+HCOO]- 227.067341 156.3
[M+CH3COO]- 241.082991 175.1
[M+Na-2H]- 203.043806 139.0
[M]+ 182.06859142 135.3
[M]- 182.06968858 135.3
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

patents stripe