CID 66350979

1516416-81-1

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1CNC1C2=CC=C(C=C2)C

InChI

InChI=1S/C11H15N/c1-8-3-5-10(6-4-8)11-9(2)7-12-11/h3-6,9,11-12H,7H2,1-2H3

InChIKey

PQUUZKNZDXMPIY-UHFFFAOYSA-N

Compound name

3-methyl-2-(4-methylphenyl)azetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.12045 Da
Monoisotopic Mass: 2.3
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]+	162.12773	133.2
[M+Na]+	184.10967	142.3
[M+NH4]+	179.15427	138.5
[M+K]+	200.08361	137.2
[M-H]-	160.11317	134.0
[M+Na-2H]-	182.09512	138.7
[M]+	161.11990	133.6
[M]-	161.12100	133.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.