CID 533936

Ns00055997

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

2
Annotation Hits: 0
References: 48
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]+	156.034136	131.3
[M+Na]+	178.016078	138.8
[M-H]-	154.019584	130.3
[M+NH4]+	173.060683	152.9
[M+K]+	193.990018	134.9
[M+H-H2O]+	138.024120	128.5
[M+HCOO]-	200.025061	145.1
[M+CH3COO]-	214.040711	177.9
[M+Na-2H]-	176.001526	135.4
[M]+	155.02631142	132.2
[M]-	155.02740858	132.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe