CID 533936

Einecs 263-758-3

Structural Information

Molecular Formula

C₅H₁₁Cl₂N

SMILES

C(CC(CN)Cl)CCl

InChI

InChI=1S/C5H11Cl2N/c6-3-1-2-5(7)4-8/h5H,1-4,8H2

InChIKey

KFAUCDBUVPJWSB-UHFFFAOYSA-N

Compound name

2,5-dichloropentan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 155.02686 Da
Monoisotopic Mass: 1.2
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	131.3
[M+Na]+	178.01608	138.8
[M-H]-	154.01958	130.3
[M+NH4]+	173.06068	152.9
[M+K]+	193.99002	134.9
[M+H-H2O]+	138.02412	128.5
[M+HCOO]-	200.02506	145.1
[M+CH3COO]-	214.04071	177.9
[M+Na-2H]-	176.00153	135.4
[M]+	155.02631	132.2
[M]-	155.02741	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe