CID 12737747

5-methyl-2-phenyl-2h-1,2,3-triazole-4-carbaldehyde

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

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

InChI

InChI=1S/C10H9N3O/c1-8-10(7-14)12-13(11-8)9-5-3-2-4-6-9/h2-7H,1H3

InChIKey

XLMBVMPACSDJMM-UHFFFAOYSA-N

Compound name

5-methyl-2-phenyltriazole-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 35
Patents: 187.07455 Da
Monoisotopic Mass: 2.1
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]+	188.08183	139.6
[M+Na]+	210.06377	154.0
[M+NH4]+	205.10837	147.3
[M+K]+	226.03771	149.1
[M-H]-	186.06727	141.7
[M+Na-2H]-	208.04922	148.1
[M]+	187.07400	142.2
[M]-	187.07510	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe