CID 203611

14758-19-1

Structural Information

Molecular Formula

C₅H₁₁Cl₂N

SMILES

CN(C)C(CCl)CCl

InChI

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

InChIKey

VFBPLWLYRSYUSR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	128.9
[M+Na]+	178.01608	140.5
[M+NH4]+	173.06068	138.3
[M+K]+	193.99002	134.1
[M-H]-	154.01958	129.8
[M+Na-2H]-	176.00153	134.1
[M]+	155.02631	131.3
[M]-	155.02741	131.3

Literature stripe

literature stripe

Patent stripe

patents stripe