CID 62622557

2-(3-bromophenyl)hexan-2-amine

Structural Information

Molecular Formula
C12H18BrN
SMILES
CCCCC(C)(C1=CC(=CC=C1)Br)N
InChI
InChI=1S/C12H18BrN/c1-3-4-8-12(2,14)10-6-5-7-11(13)9-10/h5-7,9H,3-4,8,14H2,1-2H3
InChIKey
GANQTPZONDWWAN-UHFFFAOYSA-N
Compound name
2-(3-bromophenyl)hexan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.06226 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06954 153.0
[M+Na]+ 278.05148 155.5
[M+NH4]+ 273.09608 158.0
[M+K]+ 294.02542 154.7
[M-H]- 254.05498 154.1
[M+Na-2H]- 276.03693 156.3
[M]+ 255.06171 152.5
[M]- 255.06281 152.5
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.