CID 43167618

1228878-94-1

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CC1=CC=C(C=C1)C2(CCC2)N

InChI

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

InChIKey

YUTFZXDXBJCMGY-UHFFFAOYSA-N

Compound name

1-(4-methylphenyl)cyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 161.12045 Da
Monoisotopic Mass: 1.8
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	134.8
[M+Na]+	184.10967	142.9
[M+NH4]+	179.15427	142.1
[M+K]+	200.08361	136.0
[M-H]-	160.11317	137.0
[M+Na-2H]-	182.09512	142.2
[M]+	161.11990	135.6
[M]-	161.12100	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe