CID 43132720

1-n-cyclopentylbenzene-1,3-diamine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CCC(C1)NC2=CC=CC(=C2)N

InChI

InChI=1S/C11H16N2/c12-9-4-3-7-11(8-9)13-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,12H2

InChIKey

YDXPGOZWKPAYLT-UHFFFAOYSA-N

Compound name

3-N-cyclopentylbenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 176.13135 Da
Monoisotopic Mass: 2.5
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]+	177.13863	140.2
[M+Na]+	199.12057	150.3
[M+NH4]+	194.16517	149.7
[M+K]+	215.09451	145.2
[M-H]-	175.12407	145.4
[M+Na-2H]-	197.10602	147.6
[M]+	176.13080	142.8
[M]-	176.13190	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe