CID 227771

50786-84-0

Structural Information

Molecular Formula

C₅H₁₁Cl₂N

SMILES

CN(C)CC(CCl)Cl

InChI

InChI=1S/C5H11Cl2N/c1-8(2)4-5(7)3-6/h5H,3-4H2,1-2H3

InChIKey

PWRALTDUHCCTCT-UHFFFAOYSA-N

Compound name

2,3-dichloro-N,N-dimethylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 155.02686 Da
Monoisotopic Mass: 1.5
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]+	156.03414	130.4
[M+Na]+	178.01608	138.2
[M-H]-	154.01958	131.5
[M+NH4]+	173.06068	153.1
[M+K]+	193.99002	136.0
[M+H-H2O]+	138.02412	127.5
[M+HCOO]-	200.02506	145.4
[M+CH3COO]-	214.04071	182.2
[M+Na-2H]-	176.00153	135.0
[M]+	155.02631	133.7
[M]-	155.02741	133.7

Literature stripe

literature stripe

Patent stripe

patents stripe