CID 5097028

56471-90-0

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

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

InChI

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

InChIKey

BGXBPVBZNZKDHH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 133
Patents: 150.11569 Da
Monoisotopic Mass: 1.4
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	133.1
[M+Na]+	173.10491	140.5
[M-H]-	149.10841	136.4
[M+NH4]+	168.14951	153.8
[M+K]+	189.07885	138.3
[M+H-H2O]+	133.11295	127.5
[M+HCOO]-	195.11389	157.5
[M+CH3COO]-	209.12954	182.9
[M+Na-2H]-	171.09036	137.1
[M]+	150.11514	129.6
[M]-	150.11624	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe