CID 59900587

[2-(aminomethyl)-3-methylbutyl]benzene hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₉N

SMILES

CC(C)C(CC1=CC=CC=C1)CN

InChI

InChI=1S/C12H19N/c1-10(2)12(9-13)8-11-6-4-3-5-7-11/h3-7,10,12H,8-9,13H2,1-2H3

InChIKey

HJKKLLPDJVIPSF-UHFFFAOYSA-N

Compound name

2-benzyl-3-methylbutan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 177.15175 Da
Monoisotopic Mass: 2.8
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]+	178.15903	142.9
[M+Na]+	200.14097	154.0
[M+NH4]+	195.18557	151.8
[M+K]+	216.11491	147.4
[M-H]-	176.14447	145.9
[M+Na-2H]-	198.12642	149.4
[M]+	177.15120	145.3
[M]-	177.15230	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe