CID 85306

16153-75-6

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

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

InChI

InChI=1S/C9H14N2/c1-7(2)11-9-5-3-8(10)4-6-9/h3-7,11H,10H2,1-2H3

InChIKey

YFZNTUOMAQXCQZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 539
Patents: 150.11569 Da
Monoisotopic Mass: 2.0
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]+	151.12297	132.7
[M+Na]+	173.10491	139.1
[M-H]-	149.10841	136.1
[M+NH4]+	168.14951	153.3
[M+K]+	189.07885	137.3
[M+H-H2O]+	133.11295	126.7
[M+HCOO]-	195.11389	157.7
[M+CH3COO]-	209.12954	182.4
[M+Na-2H]-	171.09036	138.5
[M]+	150.11514	129.8
[M]-	150.11624	129.8

Literature stripe

literature stripe

Patent stripe

patents stripe