CID 15611176

(1-phenylcyclobutyl)methylamine

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

C1CC(C1)(CN)C2=CC=CC=C2

InChI

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

InChIKey

AUOZFCSMXYBIQW-UHFFFAOYSA-N

Compound name

(1-phenylcyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 139
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]+	162.12773	135.0
[M+Na]+	184.10967	142.8
[M+NH4]+	179.15427	142.3
[M+K]+	200.08361	135.7
[M-H]-	160.11317	137.2
[M+Na-2H]-	182.09512	142.6
[M]+	161.11990	135.7
[M]-	161.12100	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe