CID 12280945

Cyclobutyl(phenyl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1CC(C1)C(C2=CC=CC=C2)N

InChI

InChI=1S/C11H15N/c12-11(10-7-4-8-10)9-5-2-1-3-6-9/h1-3,5-6,10-11H,4,7-8,12H2

InChIKey

YVAXXHNMTBNQFD-UHFFFAOYSA-N

Compound name

cyclobutyl(phenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 161.12045 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]+	162.127726	134.7
[M+Na]+	184.109668	138.7
[M-H]-	160.113174	140.3
[M+NH4]+	179.154273	148.1
[M+K]+	200.083608	139.5
[M+H-H2O]+	144.117710	122.9
[M+HCOO]-	206.118651	156.3
[M+CH3COO]-	220.134301	183.9
[M+Na-2H]-	182.095116	139.6
[M]+	161.11990142	138.8
[M]-	161.12099858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe