CID 12575517

1h-pyrrolo(3,2-c)pyridine, 6-chloro-3-((dimethylamino)methyl)-, dihydrochloride, hydrate

Structural Information

Molecular Formula

C₁₀H₁₂ClN₃

SMILES

CN(C)CC1=CNC2=CC(=NC=C21)Cl

InChI

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

InChIKey

QZMQKYPNAKNORK-UHFFFAOYSA-N

Compound name

1-(6-chloro-1H-pyrrolo[3,2-c]pyridin-3-yl)-N,N-dimethylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.07198 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]+	210.079256	143.6
[M+Na]+	232.061198	154.5
[M-H]-	208.064704	146.1
[M+NH4]+	227.105803	163.7
[M+K]+	248.035138	149.8
[M+H-H2O]+	192.069240	136.8
[M+HCOO]-	254.070181	162.7
[M+CH3COO]-	268.085831	157.1
[M+Na-2H]-	230.046646	150.1
[M]+	209.07143142	147.3
[M]-	209.07252858	147.3

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.