CID 84275

14235-45-1

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

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

InChI

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

InChIKey

IPDXWXPSCKSIII-UHFFFAOYSA-N

Compound name

4-propan-2-ylbenzene-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3076
Patents: 150.11569 Da
Monoisotopic Mass: 0.9
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	143.9
[M+NH4]+	168.14951	141.4
[M+K]+	189.07885	138.3
[M-H]-	149.10841	136.1
[M+Na-2H]-	171.09036	139.0
[M]+	150.11514	135.1
[M]-	150.11624	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe