CID 82281339

1379474-92-6

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CN1C=CC(=C1)C2=NNC(=C2)C(=O)O
InChI
InChI=1S/C9H9N3O2/c1-12-3-2-6(5-12)7-4-8(9(13)14)11-10-7/h2-5H,1H3,(H,10,11)(H,13,14)
InChIKey
BUZPAJGYMKBXDY-UHFFFAOYSA-N
Compound name
3-(1-methylpyrrol-3-yl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.06947 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.076746 138.3
[M+Na]+ 214.058688 148.7
[M-H]- 190.062194 140.1
[M+NH4]+ 209.103293 156.2
[M+K]+ 230.032628 145.4
[M+H-H2O]+ 174.066730 130.9
[M+HCOO]- 236.067671 160.1
[M+CH3COO]- 250.083321 176.6
[M+Na-2H]- 212.044136 141.2
[M]+ 191.06892142 138.8
[M]- 191.07001858 138.8
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.