CID 57625593

1022251-72-4

Structural Information

Molecular Formula

C₉H₁₃ClN₂

SMILES

CN(C)CC1=C(C=CC(=C1)Cl)N

InChI

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

InChIKey

JIWHLTJWESKDBN-UHFFFAOYSA-N

Compound name

4-chloro-2-[(dimethylamino)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 184.07672 Da
Monoisotopic Mass: 1.7
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	138.1
[M+Na]+	207.06594	151.0
[M+NH4]+	202.11054	147.6
[M+K]+	223.03988	143.9
[M-H]-	183.06944	142.2
[M+Na-2H]-	205.05139	145.7
[M]+	184.07617	141.4
[M]-	184.07727	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe