CID 9430043

879996-61-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.08660 138.8
[M+Na]+ 209.06854 148.5
[M-H]- 185.07204 142.2
[M+NH4]+ 204.11314 157.2
[M+K]+ 225.04248 144.2
[M+H-H2O]+ 169.07658 131.3
[M+HCOO]- 231.07752 161.3
[M+CH3COO]- 245.09317 179.1
[M+Na-2H]- 207.05399 144.0
[M]+ 186.07877 138.3
[M]- 186.07987 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

No patent data available for this compound.