CID 10821404

179055-29-9

Structural Information

Molecular Formula

C₁₁H₁₀N₂O

SMILES

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

InChI

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

InChIKey

AUZCPJSYHVZKQZ-UHFFFAOYSA-N

Compound name

4-(1-methylpyrazol-4-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 186.07932 Da
Monoisotopic Mass: 1.3
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

literature stripe

Patent stripe

patents stripe