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

4
Patents

182.06914 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 136.6
[M+Na]+ 205.05836 143.7
[M-H]- 181.06186 140.1
[M+NH4]+ 200.10296 154.8
[M+K]+ 221.03230 143.7
[M+H-H2O]+ 165.06640 129.7
[M+HCOO]- 227.06734 156.3
[M+CH3COO]- 241.08299 175.1
[M+Na-2H]- 203.04381 139.0
[M]+ 182.06859 135.3
[M]- 182.06969 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