CID 145874423

2-hydroxy-6-(1h-pyrazol-1-yl)benzaldehyde

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC(=C(C(=C1)O)C=O)N2C=CC=N2
InChI
InChI=1S/C10H8N2O2/c13-7-8-9(3-1-4-10(8)14)12-6-2-5-11-12/h1-7,14H
InChIKey
MPUKMWKHHZCQBZ-UHFFFAOYSA-N
Compound name
2-hydroxy-6-pyrazol-1-ylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05858 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.065856 137.3
[M+Na]+ 211.047798 147.2
[M-H]- 187.051304 140.9
[M+NH4]+ 206.092403 155.5
[M+K]+ 227.021738 143.8
[M+H-H2O]+ 171.055840 129.8
[M+HCOO]- 233.056781 160.3
[M+CH3COO]- 247.072431 178.2
[M+Na-2H]- 209.033246 143.1
[M]+ 188.05803142 137.8
[M]- 188.05912858 137.8
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.