CID 61150194

N1-phenylhexane-1,2-diamine

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CCCCC(CNC1=CC=CC=C1)N

InChI

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

InChIKey

XRDZGTPHKLAIFK-UHFFFAOYSA-N

Compound name

1-N-phenylhexane-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 192.16264 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]+	193.169916	146.4
[M+Na]+	215.151858	150.5
[M-H]-	191.155364	148.8
[M+NH4]+	210.196463	164.9
[M+K]+	231.125798	147.9
[M+H-H2O]+	175.159900	139.5
[M+HCOO]-	237.160841	170.4
[M+CH3COO]-	251.176491	190.4
[M+Na-2H]-	213.137306	151.3
[M]+	192.16209142	144.2
[M]-	192.16318858	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe