CID 2735745

89659-68-7

Structural Information

Molecular Formula

C₉H₁₃ClN₂

SMILES

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

InChI

InChI=1S/C9H13ClN2/c1-6(2)12-9-4-3-7(10)5-8(9)11/h3-6,12H,11H2,1-2H3

InChIKey

JZZYUYHBBMUCEY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 184.07672 Da
Monoisotopic Mass: 2.7
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]+	185.08400	138.5
[M+Na]+	207.06594	150.8
[M+NH4]+	202.11054	147.7
[M+K]+	223.03988	144.1
[M-H]-	183.06944	142.1
[M+Na-2H]-	205.05139	145.4
[M]+	184.07617	141.5
[M]-	184.07727	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe