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 154.5
[M+Na]+ 278.05148 164.3
[M-H]- 254.05498 159.9
[M+NH4]+ 273.09608 174.9
[M+K]+ 294.02542 152.2
[M+H-H2O]+ 238.05952 154.1
[M+HCOO]- 300.06046 174.2
[M+CH3COO]- 314.07611 195.7
[M+Na-2H]- 276.03693 160.8
[M]+ 255.06171 172.1
[M]- 255.06281 172.1
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.