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]+ 282.08518 162.1
[M+Na]+ 304.06712 169.3
[M-H]- 280.07062 169.7
[M+NH4]+ 299.11172 180.9
[M+K]+ 320.04106 157.4
[M+H-H2O]+ 264.07516 160.9
[M+HCOO]- 326.07610 179.1
[M+CH3COO]- 340.09175 199.7
[M+Na-2H]- 302.05257 164.5
[M]+ 281.07735 174.2
[M]- 281.07845 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.