CID 19981018

1-(4-bromophenyl)butan-1-amine

Structural Information

Molecular Formula
C10H14BrN
SMILES
CCCC(C1=CC=C(C=C1)Br)N
InChI
InChI=1S/C10H14BrN/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7,10H,2-3,12H2,1H3
InChIKey
STORZZRBHMOXOC-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

227.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.038236 145.2
[M+Na]+ 250.020178 155.0
[M-H]- 226.023684 150.7
[M+NH4]+ 245.064783 166.4
[M+K]+ 265.994118 143.5
[M+H-H2O]+ 210.028220 144.6
[M+HCOO]- 272.029161 166.1
[M+CH3COO]- 286.044811 190.5
[M+Na-2H]- 248.005626 150.9
[M]+ 227.03041142 161.9
[M]- 227.03150858 161.9
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