CID 14549853

4-bromo-2-[[cyclohexyl(methyl)amino]methyl]aniline

Structural Information

Molecular Formula
C14H21BrN2
SMILES
CN(CC1=C(C=CC(=C1)Br)N)C2CCCCC2
InChI
InChI=1S/C14H21BrN2/c1-17(13-5-3-2-4-6-13)10-11-9-12(15)7-8-14(11)16/h7-9,13H,2-6,10,16H2,1H3
InChIKey
ZYLPFXIGTPKCAO-UHFFFAOYSA-N
Compound name
4-bromo-2-[[cyclohexyl(methyl)amino]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

296.0888 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09608 164.6
[M+Na]+ 319.07802 171.2
[M-H]- 295.08152 173.2
[M+NH4]+ 314.12262 183.0
[M+K]+ 335.05196 159.9
[M+H-H2O]+ 279.08606 162.3
[M+HCOO]- 341.08700 183.8
[M+CH3COO]- 355.10265 206.7
[M+Na-2H]- 317.06347 167.7
[M]+ 296.08825 177.7
[M]- 296.08935 177.7
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