CID 12583379

(6-bromohexyl)diethylamine hydrobromide

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

12
Patents

235.09357 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.100846 152.2
[M+Na]+ 258.082788 160.7
[M-H]- 234.086294 155.7
[M+NH4]+ 253.127393 174.1
[M+K]+ 274.056728 150.6
[M+H-H2O]+ 218.090830 151.3
[M+HCOO]- 280.091771 173.5
[M+CH3COO]- 294.107421 197.3
[M+Na-2H]- 256.068236 157.5
[M]+ 235.09302142 173.5
[M]- 235.09411858 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe