CID 22184594

600725-69-7

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

C1CCC(C1)NC2=CC=CC=C2N

InChI

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

InChIKey

DWKHLNTXRMLLEJ-UHFFFAOYSA-N

Compound name

2-N-cyclopentylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
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	137.7
[M+Na]+	199.12057	142.7
[M-H]-	175.12407	143.6
[M+NH4]+	194.16517	158.6
[M+K]+	215.09451	139.7
[M+H-H2O]+	159.12861	130.9
[M+HCOO]-	221.12955	162.5
[M+CH3COO]-	235.14520	183.8
[M+Na-2H]-	197.10602	142.1
[M]+	176.13080	131.7
[M]-	176.13190	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe