CID 3087175

Mg 16059

Structural Information

Molecular Formula
C14H20BrN
SMILES
CC(C1CCC(CC1)C2=CC=C(C=C2)Br)N
InChI
InChI=1S/C14H20BrN/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13/h6-12H,2-5,16H2,1H3
InChIKey
BYNJCCMUZVRVON-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)cyclohexyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0779 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.085176 162.1
[M+Na]+ 304.067118 169.3
[M-H]- 280.070624 169.7
[M+NH4]+ 299.111723 180.9
[M+K]+ 320.041058 157.4
[M+H-H2O]+ 264.075160 160.9
[M+HCOO]- 326.076101 179.1
[M+CH3COO]- 340.091751 199.7
[M+Na-2H]- 302.052566 164.5
[M]+ 281.07735142 174.2
[M]- 281.07844858 174.2
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.