CID 2760667

3-(4-methylphenyl)-1h-pyrazole-4-carboxaldehyde

Structural Information

Molecular Formula
C11H10N2O
SMILES
CC1=CC=C(C=C1)C2=C(C=NN2)C=O
InChI
InChI=1S/C11H10N2O/c1-8-2-4-9(5-3-8)11-10(7-14)6-12-13-11/h2-7H,1H3,(H,12,13)
InChIKey
CKEZOUSRIZFLQE-UHFFFAOYSA-N
Compound name
5-(4-methylphenyl)-1H-pyrazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

186.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.086596 138.8
[M+Na]+ 209.068538 148.5
[M-H]- 185.072044 142.2
[M+NH4]+ 204.113143 157.2
[M+K]+ 225.042478 144.2
[M+H-H2O]+ 169.076580 131.3
[M+HCOO]- 231.077521 161.3
[M+CH3COO]- 245.093171 179.1
[M+Na-2H]- 207.053986 144.0
[M]+ 186.07877142 138.3
[M]- 186.07986858 138.3
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