CID 15930770

(r)-1-(4-iodophenyl)ethanamine hydrochloride

Structural Information

Molecular Formula
C8H10IN
SMILES
C[C@H](C1=CC=C(C=C1)I)N
InChI
InChI=1S/C8H10IN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3/t6-/m1/s1
InChIKey
HLCLTOJXMUXWQW-ZCFIWIBFSA-N
Compound name
(1R)-1-(4-iodophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

246.9858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.99308 140.8
[M+Na]+ 269.97502 141.1
[M-H]- 245.97852 137.2
[M+NH4]+ 265.01962 157.0
[M+K]+ 285.94896 145.0
[M+H-H2O]+ 229.98306 131.6
[M+HCOO]- 291.98400 159.5
[M+CH3COO]- 305.99965 186.0
[M+Na-2H]- 267.96047 133.9
[M]+ 246.98525 135.9
[M]- 246.98635 135.9
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