CID 65499870

1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine

Structural Information

Molecular Formula
C13H19BrN2
SMILES
CC1=CC(=CC(=C1N2CCCC(C2)N)C)Br
InChI
InChI=1S/C13H19BrN2/c1-9-6-11(14)7-10(2)13(9)16-5-3-4-12(15)8-16/h6-7,12H,3-5,8,15H2,1-2H3
InChIKey
YHSUTTVOZOMBGW-UHFFFAOYSA-N
Compound name
1-(4-bromo-2,6-dimethylphenyl)piperidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.07315 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08043 159.9
[M+Na]+ 305.06237 169.5
[M-H]- 281.06587 166.9
[M+NH4]+ 300.10697 178.1
[M+K]+ 321.03631 157.2
[M+H-H2O]+ 265.07041 158.2
[M+HCOO]- 327.07135 176.9
[M+CH3COO]- 341.08700 200.7
[M+Na-2H]- 303.04782 162.8
[M]+ 282.07260 173.6
[M]- 282.07370 173.6
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.