CID 20554364

78438-99-0

Structural Information

Molecular Formula

C₁₀H₁₆N₂

SMILES

CC(C)CNC1=CC=CC=C1N

InChI

InChI=1S/C10H16N2/c1-8(2)7-12-10-6-4-3-5-9(10)11/h3-6,8,12H,7,11H2,1-2H3

InChIKey

WQTINASITKTOOI-UHFFFAOYSA-N

Compound name

2-N-(2-methylpropyl)benzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
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	143.3
[M-H]-	163.12407	140.5
[M+NH4]+	182.16517	157.4
[M+K]+	203.09451	141.2
[M+H-H2O]+	147.12861	131.1
[M+HCOO]-	209.12955	162.0
[M+CH3COO]-	223.14520	185.4
[M+Na-2H]-	185.10602	142.5
[M]+	164.13080	134.8
[M]-	164.13190	134.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe