CID 107259

1-(4-iodophenyl)-n-methylpropan-2-amine

Structural Information

Molecular Formula

C₁₀H₁₄IN

SMILES

CC(CC1=CC=C(C=C1)I)NC

InChI

InChI=1S/C10H14IN/c1-8(12-2)7-9-3-5-10(11)6-4-9/h3-6,8,12H,7H2,1-2H3

InChIKey

MXJYUKFIZBQAJV-UHFFFAOYSA-N

Compound name

1-(4-iodophenyl)-N-methylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 275.0171 Da
Monoisotopic Mass: 2.7
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]+	276.02438	149.0
[M+Na]+	298.00632	148.4
[M-H]-	274.00982	145.4
[M+NH4]+	293.05092	164.3
[M+K]+	313.98026	152.2
[M+H-H2O]+	258.01436	139.3
[M+HCOO]-	320.01530	167.6
[M+CH3COO]-	334.03095	192.4
[M+Na-2H]-	295.99177	142.0
[M]+	275.01655	145.7
[M]-	275.01765	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe