CID 155821076

2-{3h-imidazo[4,5-c]quinolin-2-yl}ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C12H12N4
SMILES
C1=CC=C2C(=C1)C3=C(C=N2)NC(=N3)CCN
InChI
InChI=1S/C12H12N4/c13-6-5-11-15-10-7-14-9-4-2-1-3-8(9)12(10)16-11/h1-4,7H,5-6,13H2,(H,15,16)
InChIKey
MSPIIRFCKYKSLG-UHFFFAOYSA-N
Compound name
2-(3H-imidazo[4,5-c]quinolin-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

212.1062 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11348 145.0
[M+Na]+ 235.09542 155.7
[M-H]- 211.09892 145.4
[M+NH4]+ 230.14002 162.8
[M+K]+ 251.06936 149.6
[M+H-H2O]+ 195.10346 136.9
[M+HCOO]- 257.10440 165.5
[M+CH3COO]- 271.12005 157.3
[M+Na-2H]- 233.08087 153.8
[M]+ 212.10565 144.7
[M]- 212.10675 144.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.