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]+ 188.11823 139.8
[M+Na]+ 210.10017 146.9
[M-H]- 186.10367 142.0
[M+NH4]+ 205.14477 158.2
[M+K]+ 226.07411 143.2
[M+H-H2O]+ 170.10821 132.6
[M+HCOO]- 232.10915 162.2
[M+CH3COO]- 246.12480 187.9
[M+Na-2H]- 208.08562 147.2
[M]+ 187.11040 136.1
[M]- 187.11150 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.