CID 47486

3,3-diphenylcyclobutylamine hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₇N

SMILES

C1C(CC1(C2=CC=CC=C2)C3=CC=CC=C3)N

InChI

InChI=1S/C16H17N/c17-15-11-16(12-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2

InChIKey

IABBZBVTZRKDFW-UHFFFAOYSA-N

Compound name

3,3-diphenylcyclobutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 223.1361 Da
Monoisotopic Mass: 3.3
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]+	224.14338	150.0
[M+Na]+	246.12532	160.1
[M+NH4]+	241.16992	157.7
[M+K]+	262.09926	151.6
[M-H]-	222.12882	154.8
[M+Na-2H]-	244.11077	160.2
[M]+	223.13555	152.0
[M]-	223.13665	152.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe