CID 72777

55875-54-2

Structural Information

Molecular Formula

C₁₁H₁₆Cl₂N₂

SMILES

CC(CC1=C(C=C(C=C1Cl)N(C)C)Cl)N

InChI

InChI=1S/C11H16Cl2N2/c1-7(14)4-9-10(12)5-8(15(2)3)6-11(9)13/h5-7H,4,14H2,1-3H3

InChIKey

DWBMENXBKOCHLV-UHFFFAOYSA-N

Compound name

4-(2-aminopropyl)-3,5-dichloro-N,N-dimethylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 4
Patents: 246.06906 Da
Monoisotopic Mass: 3.1
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]+	247.07634	155.2
[M+Na]+	269.05828	163.9
[M-H]-	245.06178	159.3
[M+NH4]+	264.10288	174.4
[M+K]+	285.03222	159.4
[M+H-H2O]+	229.06632	150.8
[M+HCOO]-	291.06726	170.3
[M+CH3COO]-	305.08291	202.5
[M+Na-2H]-	267.04373	156.3
[M]+	246.06851	158.3
[M]-	246.06961	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe