CID 12583379

64993-14-2

Structural Information

Molecular Formula

C₁₀H₂₂BrN

SMILES

CCN(CC)CCCCCCBr

InChI

InChI=1S/C10H22BrN/c1-3-12(4-2)10-8-6-5-7-9-11/h3-10H2,1-2H3

InChIKey

GGSFATGQTSRBQK-UHFFFAOYSA-N

Compound name

6-bromo-N,N-diethylhexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 235.09357 Da
Monoisotopic Mass: 3.2
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]+	236.10085	151.0
[M+Na]+	258.08279	151.6
[M+NH4]+	253.12739	155.6
[M+K]+	274.05673	150.6
[M-H]-	234.08629	150.6
[M+Na-2H]-	256.06824	151.9
[M]+	235.09302	149.7
[M]-	235.09412	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe