CID 15150145

2-(4-iodophenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C8H10IN
SMILES
C1=CC(=CC=C1CCN)I
InChI
InChI=1S/C8H10IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChIKey
IQFHGSFDGGJWSJ-UHFFFAOYSA-N
Compound name
2-(4-iodophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

142
Patents

246.9858 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.993076 140.8
[M+Na]+ 269.975018 141.3
[M-H]- 245.978524 137.0
[M+NH4]+ 265.019623 157.0
[M+K]+ 285.948958 144.7
[M+H-H2O]+ 229.983060 131.4
[M+HCOO]- 291.984001 160.4
[M+CH3COO]- 305.999651 185.2
[M+Na-2H]- 267.960466 135.0
[M]+ 246.98525142 136.4
[M]- 246.98634858 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe