CID 651228

879442-52-1

Structural Information

Molecular Formula
C9H8N2O3
SMILES
CC1=CC=C(O1)C2=CC(=NN2)C(=O)O
InChI
InChI=1S/C9H8N2O3/c1-5-2-3-8(14-5)6-4-7(9(12)13)11-10-6/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKey
GOUUZIMECSCUHZ-UHFFFAOYSA-N
Compound name
5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

192.0535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.060776 136.9
[M+Na]+ 215.042718 147.2
[M-H]- 191.046224 140.5
[M+NH4]+ 210.087323 154.7
[M+K]+ 231.016658 145.4
[M+H-H2O]+ 175.050760 130.5
[M+HCOO]- 237.051701 159.2
[M+CH3COO]- 251.067351 175.8
[M+Na-2H]- 213.028166 140.6
[M]+ 192.05295142 138.9
[M]- 192.05404858 138.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe