CID 115841957

2-cyclohexyl-1-(3-iodophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H20IN
SMILES
C1CCC(CC1)CC(C2=CC(=CC=C2)I)N
InChI
InChI=1S/C14H20IN/c15-13-8-4-7-12(10-13)14(16)9-11-5-2-1-3-6-11/h4,7-8,10-11,14H,1-3,5-6,9,16H2
InChIKey
WHIYTFODUFBWGA-UHFFFAOYSA-N
Compound name
2-cyclohexyl-1-(3-iodophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.06406 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07134 163.9
[M+Na]+ 352.05328 159.9
[M-H]- 328.05678 161.3
[M+NH4]+ 347.09788 176.1
[M+K]+ 368.02722 162.3
[M+H-H2O]+ 312.06132 152.7
[M+HCOO]- 374.06226 177.9
[M+CH3COO]- 388.07791 199.9
[M+Na-2H]- 350.03873 153.6
[M]+ 329.06351 154.3
[M]- 329.06461 154.3
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.