CID 205106

17364-41-9

Structural Information

Molecular Formula

C₁₁H₁₀N₂O₂

SMILES

CC1=NN(C(=O)C1C=O)C2=CC=CC=C2

InChI

InChI=1S/C11H10N2O2/c1-8-10(7-14)11(15)13(12-8)9-5-3-2-4-6-9/h2-7,10H,1H3

InChIKey

RGDIXYRCPLMSGT-UHFFFAOYSA-N

Compound name

3-methyl-5-oxo-1-phenyl-4H-pyrazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 202.07423 Da
Monoisotopic Mass: 1.0
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]+	203.08151	141.5
[M+Na]+	225.06345	151.7
[M-H]-	201.06695	146.3
[M+NH4]+	220.10805	160.0
[M+K]+	241.03739	148.5
[M+H-H2O]+	185.07149	133.9
[M+HCOO]-	247.07243	164.5
[M+CH3COO]-	261.08808	184.4
[M+Na-2H]-	223.04890	145.5
[M]+	202.07368	142.6
[M]-	202.07478	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe