CID 23091614

49705-19-3

Structural Information

Molecular Formula

SMILES

CC(C)N(C)CCCCl

InChI

InChI=1S/C7H16ClN/c1-7(2)9(3)6-4-5-8/h7H,4-6H2,1-3H3

InChIKey

MGUSKVMIXPXOLC-UHFFFAOYSA-N

Compound name

3-chloro-N-methyl-N-propan-2-ylpropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 149.09712 Da
Monoisotopic Mass: 2.0
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]+	150.10440	132.1
[M+Na]+	172.08634	142.8
[M+NH4]+	167.13094	141.2
[M+K]+	188.06028	136.5
[M-H]-	148.08984	133.1
[M+Na-2H]-	170.07179	136.7
[M]+	149.09657	134.1
[M]-	149.09767	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe