CID 75537368

1-[1-(4-bromophenyl)cyclopropyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C11H14BrN
SMILES
CC(C1(CC1)C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C11H14BrN/c1-8(13)11(6-7-11)9-2-4-10(12)5-3-9/h2-5,8H,6-7,13H2,1H3
InChIKey
XBJJHNCJZZPBIM-UHFFFAOYSA-N
Compound name
1-[1-(4-bromophenyl)cyclopropyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.03096 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 144.3
[M+Na]+ 262.020178 156.4
[M-H]- 238.023684 154.0
[M+NH4]+ 257.064783 162.4
[M+K]+ 277.994118 145.3
[M+H-H2O]+ 222.028220 144.4
[M+HCOO]- 284.029161 165.5
[M+CH3COO]- 298.044811 194.3
[M+Na-2H]- 260.005626 151.4
[M]+ 239.03041142 162.5
[M]- 239.03150858 162.5
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

patents stripe