CID 63968090

1-(quinolin-6-yl)ethane-1,2-diamine

Structural Information

Molecular Formula
C11H13N3
SMILES
C1=CC2=C(C=CC(=C2)C(CN)N)N=C1
InChI
InChI=1S/C11H13N3/c12-7-10(13)8-3-4-11-9(6-8)2-1-5-14-11/h1-6,10H,7,12-13H2
InChIKey
XEQWIGYDPOMOFT-UHFFFAOYSA-N
Compound name
1-quinolin-6-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.11095 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.118226 139.8
[M+Na]+ 210.100168 146.9
[M-H]- 186.103674 142.0
[M+NH4]+ 205.144773 158.2
[M+K]+ 226.074108 143.2
[M+H-H2O]+ 170.108210 132.6
[M+HCOO]- 232.109151 162.2
[M+CH3COO]- 246.124801 187.9
[M+Na-2H]- 208.085616 147.2
[M]+ 187.11040142 136.1
[M]- 187.11149858 136.1
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.