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

8
Patents

235.09357 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10085 152.2
[M+Na]+ 258.08279 160.7
[M-H]- 234.08629 155.7
[M+NH4]+ 253.12739 174.1
[M+K]+ 274.05673 150.6
[M+H-H2O]+ 218.09083 151.3
[M+HCOO]- 280.09177 173.5
[M+CH3COO]- 294.10742 197.3
[M+Na-2H]- 256.06824 157.5
[M]+ 235.09302 173.5
[M]- 235.09412 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