CID 18999674

(1-benzylcyclobutyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₇N

SMILES

C1CC(C1)(CC2=CC=CC=C2)CN

InChI

InChI=1S/C12H17N/c13-10-12(7-4-8-12)9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,13H2

InChIKey

LFQUDPUKJQUQHR-UHFFFAOYSA-N

Compound name

(1-benzylcyclobutyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 175.1361 Da
Monoisotopic Mass: 2.4
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]+	176.14338	139.5
[M+Na]+	198.12532	147.1
[M+NH4]+	193.16992	146.6
[M+K]+	214.09926	139.7
[M-H]-	174.12882	141.6
[M+Na-2H]-	196.11077	146.8
[M]+	175.13555	140.2
[M]-	175.13665	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe