CID 53735928

1379527-03-3

Structural Information

Molecular Formula

C₁₁H₁₈N₂

SMILES

CC(C)(CN)NCC1=CC=CC=C1

InChI

InChI=1S/C11H18N2/c1-11(2,9-12)13-8-10-6-4-3-5-7-10/h3-7,13H,8-9,12H2,1-2H3

InChIKey

CREAATGKLBYRSK-UHFFFAOYSA-N

Compound name

2-N-benzyl-2-methylpropane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 178.147 Da
Monoisotopic Mass: 1.0
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]+	179.15428	142.0
[M+Na]+	201.13622	152.4
[M+NH4]+	196.18082	150.5
[M+K]+	217.11016	146.0
[M-H]-	177.13972	145.0
[M+Na-2H]-	199.12167	149.0
[M]+	178.14645	144.2
[M]-	178.14755	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe