CID 115393482

3-cyclopropyl-4-phenyl-4h-1,2,4-triazole

Structural Information

Molecular Formula

C₁₁H₁₁N₃

SMILES

C1CC1C2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C11H11N3/c1-2-4-10(5-3-1)14-8-12-13-11(14)9-6-7-9/h1-5,8-9H,6-7H2

InChIKey

ZWXFRSZZZMRONH-UHFFFAOYSA-N

Compound name

3-cyclopropyl-4-phenyl-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 185.09529 Da
Monoisotopic Mass: 1.7
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]+	186.10257	144.5
[M+Na]+	208.08451	160.3
[M+NH4]+	203.12911	153.8
[M+K]+	224.05845	155.7
[M-H]-	184.08801	155.2
[M+Na-2H]-	206.06996	156.6
[M]+	185.09474	150.9
[M]-	185.09584	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe