CID 4962638

55899-42-8

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CCCNC1=CC=CC=C1N

InChI

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

InChIKey

WHVUPKSFLNXRHY-UHFFFAOYSA-N

Compound name

2-N-propylbenzene-1,2-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 76
Patents: 150.11569 Da
Monoisotopic Mass: 2.1
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	132.2
[M+Na]+	173.10491	143.7
[M+NH4]+	168.14951	141.3
[M+K]+	189.07885	136.8
[M-H]-	149.10841	136.0
[M+Na-2H]-	171.09036	139.7
[M]+	150.11514	134.8
[M]-	150.11624	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe