CID 60669402

[1-(4-bromophenyl)ethyl](octyl)amine hydrochloride

Structural Information

Molecular Formula
C16H26BrN
SMILES
CCCCCCCCNC(C)C1=CC=C(C=C1)Br
InChI
InChI=1S/C16H26BrN/c1-3-4-5-6-7-8-13-18-14(2)15-9-11-16(17)12-10-15/h9-12,14,18H,3-8,13H2,1-2H3
InChIKey
DQKKXDLJAYUUTR-UHFFFAOYSA-N
Compound name
N-[1-(4-bromophenyl)ethyl]octan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.12485 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.13213 171.8
[M+Na]+ 334.11407 179.2
[M-H]- 310.11757 176.7
[M+NH4]+ 329.15867 190.1
[M+K]+ 350.08801 166.6
[M+H-H2O]+ 294.12211 170.1
[M+HCOO]- 356.12305 191.3
[M+CH3COO]- 370.13870 208.0
[M+Na-2H]- 332.09952 175.3
[M]+ 311.12430 191.5
[M]- 311.12540 191.5
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

No patent data available for this compound.