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]+ 189.06586 137.3
[M+Na]+ 211.04780 147.2
[M-H]- 187.05130 140.9
[M+NH4]+ 206.09240 155.5
[M+K]+ 227.02174 143.8
[M+H-H2O]+ 171.05584 129.8
[M+HCOO]- 233.05678 160.3
[M+CH3COO]- 247.07243 178.2
[M+Na-2H]- 209.03325 143.1
[M]+ 188.05803 137.8
[M]- 188.05913 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.