CID 62135769

2-methyl-4-(1h-1,2,4-triazol-1-yl)benzaldehyde

Structural Information

Molecular Formula

C₁₀H₉N₃O

SMILES

CC1=C(C=CC(=C1)N2C=NC=N2)C=O

InChI

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

InChIKey

MJZUHMJFAQLMGK-UHFFFAOYSA-N

Compound name

2-methyl-4-(1,2,4-triazol-1-yl)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 187.07455 Da
Monoisotopic Mass: 1.5
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