CID 3160166

3-(4-hydroxyphenyl)-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC(=CC=C1C2=C(C=NN2)C=O)O
InChI
InChI=1S/C10H8N2O2/c13-6-8-5-11-12-10(8)7-1-3-9(14)4-2-7/h1-6,14H,(H,11,12)
InChIKey
LWSHTQYMDDOOPT-UHFFFAOYSA-N
Compound name
5-(4-hydroxyphenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

188.05858 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 138.0
[M+Na]+ 211.04780 147.5
[M-H]- 187.05130 140.2
[M+NH4]+ 206.09240 155.4
[M+K]+ 227.02174 143.1
[M+H-H2O]+ 171.05584 130.7
[M+HCOO]- 233.05678 159.5
[M+CH3COO]- 247.07243 175.7
[M+Na-2H]- 209.03325 143.3
[M]+ 188.05803 136.7
[M]- 188.05913 136.7
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

patents stripe