CID 43220740

[(4-bromophenyl)methyl](octan-2-yl)amine

Structural Information

Molecular Formula
C15H24BrN
SMILES
CCCCCCC(C)NCC1=CC=C(C=C1)Br
InChI
InChI=1S/C15H24BrN/c1-3-4-5-6-7-13(2)17-12-14-8-10-15(16)11-9-14/h8-11,13,17H,3-7,12H2,1-2H3
InChIKey
IBTUYYYBQIHPNU-UHFFFAOYSA-N
Compound name
N-[(4-bromophenyl)methyl]octan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.10922 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11650 167.3
[M+Na]+ 320.09844 175.0
[M-H]- 296.10194 172.3
[M+NH4]+ 315.14304 186.1
[M+K]+ 336.07238 162.7
[M+H-H2O]+ 280.10648 165.7
[M+HCOO]- 342.10742 187.1
[M+CH3COO]- 356.12307 205.2
[M+Na-2H]- 318.08389 171.2
[M]+ 297.10867 186.6
[M]- 297.10977 186.6
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.