CID 72207345

2,3-dimethyl-2h-indazole-5-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₁₀N₂O

SMILES

CC1=C2C=C(C=CC2=NN1C)C=O

InChI

InChI=1S/C10H10N2O/c1-7-9-5-8(6-13)3-4-10(9)11-12(7)2/h3-6H,1-2H3

InChIKey

IZMZVEOGXUEVNE-UHFFFAOYSA-N

Compound name

2,3-dimethylindazole-5-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 174.07932 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]+	175.08660	134.0
[M+Na]+	197.06854	146.6
[M-H]-	173.07204	137.2
[M+NH4]+	192.11314	155.5
[M+K]+	213.04248	143.3
[M+H-H2O]+	157.07658	127.5
[M+HCOO]-	219.07752	158.2
[M+CH3COO]-	233.09317	181.4
[M+Na-2H]-	195.05399	141.2
[M]+	174.07877	138.3
[M]-	174.07987	138.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe