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]+ 192.07675 138.3
[M+Na]+ 214.05869 148.7
[M-H]- 190.06219 140.1
[M+NH4]+ 209.10329 156.2
[M+K]+ 230.03263 145.4
[M+H-H2O]+ 174.06673 130.9
[M+HCOO]- 236.06767 160.1
[M+CH3COO]- 250.08332 176.6
[M+Na-2H]- 212.04414 141.2
[M]+ 191.06892 138.8
[M]- 191.07002 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.