CID 46736790

1092381-05-9

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃

SMILES

CCCN1C2=C(C=NC=C2)N=C1CCl

InChI

InChI=1S/C10H12ClN3/c1-2-5-14-9-3-4-12-7-8(9)13-10(14)6-11/h3-4,7H,2,5-6H2,1H3

InChIKey

XMIZMUOSSZBBPE-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-1-propylimidazo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.07198 Da
Monoisotopic Mass: 1.6
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]+	210.079256	143.5
[M+Na]+	232.061198	155.6
[M-H]-	208.064704	144.3
[M+NH4]+	227.105803	162.6
[M+K]+	248.035138	150.4
[M+H-H2O]+	192.069240	135.8
[M+HCOO]-	254.070181	161.0
[M+CH3COO]-	268.085831	156.9
[M+Na-2H]-	230.046646	150.5
[M]+	209.07143142	148.8
[M]-	209.07252858	148.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.