CID 86775737

1-(2-iodopyridin-3-yl)methanamine dihydrochloride

Structural Information

Molecular Formula

SMILES

C1=CC(=C(N=C1)I)CN

InChI

InChI=1S/C6H7IN2/c7-6-5(4-8)2-1-3-9-6/h1-3H,4,8H2

InChIKey

YRZGJRNDYLADEU-UHFFFAOYSA-N

Compound name

(2-iodo-3-pyridinyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 233.9654 Da
Monoisotopic Mass: 0.4
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]+	234.972676	134.1
[M+Na]+	256.954618	135.4
[M-H]-	232.958124	129.2
[M+NH4]+	251.999223	149.5
[M+K]+	272.928558	139.2
[M+H-H2O]+	216.962660	124.2
[M+HCOO]-	278.963601	153.2
[M+CH3COO]-	292.979251	182.0
[M+Na-2H]-	254.940066	129.6
[M]+	233.96485142	129.6
[M]-	233.96594858	129.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe