CID 10267191

69587-11-7

Structural Information

Molecular Formula

C₁₀H₁₄INO₂

SMILES

COC1=CC(=C(C=C1CCN)OC)I

InChI

InChI=1S/C10H14INO2/c1-13-9-6-8(11)10(14-2)5-7(9)3-4-12/h5-6H,3-4,12H2,1-2H3

InChIKey

PQHQBRJAAZQXHL-UHFFFAOYSA-N

Compound name

2-(4-iodo-2,5-dimethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 21
References: 516
Patents: 307.00693 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	308.01421	157.6
[M+Na]+	329.99615	158.8
[M-H]-	305.99965	154.1
[M+NH4]+	325.04075	171.9
[M+K]+	345.97009	162.8
[M+H-H2O]+	290.00419	147.7
[M+HCOO]-	352.00513	176.9
[M+CH3COO]-	366.02078	197.0
[M+Na-2H]-	327.98160	149.1
[M]+	307.00638	157.3
[M]-	307.00748	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe