CID 104091326

1-(4-bromophenyl)hex-5-yn-1-amine

Structural Information

Molecular Formula
C12H14BrN
SMILES
C#CCCCC(C1=CC=C(C=C1)Br)N
InChI
InChI=1S/C12H14BrN/c1-2-3-4-5-12(14)10-6-8-11(13)9-7-10/h1,6-9,12H,3-5,14H2
InChIKey
IQZHAFQJVUWERF-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)hex-5-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03096 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.03824 150.5
[M+Na]+ 274.02018 162.4
[M-H]- 250.02368 153.1
[M+NH4]+ 269.06478 168.5
[M+K]+ 289.99412 149.1
[M+H-H2O]+ 234.02822 143.8
[M+HCOO]- 296.02916 167.7
[M+CH3COO]- 310.04481 201.3
[M+Na-2H]- 272.00563 154.4
[M]+ 251.03041 160.5
[M]- 251.03151 160.5
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.