CID 603947

1-methyl-3-phenyl-1h-pyrazole-4-carbaldehyde

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)C=O

InChI

InChI=1S/C11H10N2O/c1-13-7-10(8-14)11(12-13)9-5-3-2-4-6-9/h2-8H,1H3

InChIKey

WJSFPCDQTDLOPK-UHFFFAOYSA-N

Compound name

1-methyl-3-phenylpyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 186.07932 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	187.08660	139.8
[M+Na]+	209.06854	154.2
[M+NH4]+	204.11314	148.1
[M+K]+	225.04248	148.8
[M-H]-	185.07204	142.7
[M+Na-2H]-	207.05399	148.5
[M]+	186.07877	142.6
[M]-	186.07987	142.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe