CID 304050

10029-30-8

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CCC(C)NC1=CC=C(C=C1)N

InChI

InChI=1S/C10H16N2/c1-3-8(2)12-10-6-4-9(11)5-7-10/h4-8,12H,3,11H2,1-2H3

InChIKey

CMBRHCVQODXRRS-UHFFFAOYSA-N

Compound name

4-N-butan-2-ylbenzene-1,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 502
Patents: 164.13135 Da
Monoisotopic Mass: 2.6
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]+	165.13863	137.3
[M+Na]+	187.12057	148.3
[M+NH4]+	182.16517	146.1
[M+K]+	203.09451	142.0
[M-H]-	163.12407	140.9
[M+Na-2H]-	185.10602	144.1
[M]+	164.13080	139.7
[M]-	164.13190	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe