CID 13763415

4-propylbenzene-1,2-diamine

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CCCC1=CC(=C(C=C1)N)N

InChI

InChI=1S/C9H14N2/c1-2-3-7-4-5-8(10)9(11)6-7/h4-6H,2-3,10-11H2,1H3

InChIKey

ZPZZLBVKKPQYAK-UHFFFAOYSA-N

Compound name

4-propylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 150.11569 Da
Monoisotopic Mass: 1.6
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]+	151.12297	132.0
[M+Na]+	173.10491	143.6
[M+NH4]+	168.14951	140.9
[M+K]+	189.07885	137.2
[M-H]-	149.10841	135.7
[M+Na-2H]-	171.09036	138.8
[M]+	150.11514	134.5
[M]-	150.11624	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe