CID 73013419

854650-11-6

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CC(C1=CC=CC=C1)NCC(C)(C)N

InChI

InChI=1S/C12H20N2/c1-10(14-9-12(2,3)13)11-7-5-4-6-8-11/h4-8,10,14H,9,13H2,1-3H3

InChIKey

IYMMHZQNNLOTMO-UHFFFAOYSA-N

Compound name

2-methyl-1-N-(1-phenylethyl)propane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 192.16264 Da
Monoisotopic Mass: 1.4
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]+	193.16992	146.4
[M+Na]+	215.15186	151.0
[M-H]-	191.15536	149.1
[M+NH4]+	210.19646	165.1
[M+K]+	231.12580	148.8
[M+H-H2O]+	175.15990	140.2
[M+HCOO]-	237.16084	168.8
[M+CH3COO]-	251.17649	190.7
[M+Na-2H]-	213.13731	151.9
[M]+	192.16209	143.7
[M]-	192.16319	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe