CID 43669224

4-(2-hydroxyethoxy)quinoline-3-carbonitrile

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1=CC=C2C(=C1)C(=C(C=N2)C#N)OCCO
InChI
InChI=1S/C12H10N2O2/c13-7-9-8-14-11-4-2-1-3-10(11)12(9)16-6-5-15/h1-4,8,15H,5-6H2
InChIKey
CUHFFSVADJYGSK-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethoxy)quinoline-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07423 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 148.9
[M+Na]+ 237.06345 162.2
[M+NH4]+ 232.10805 153.7
[M+K]+ 253.03739 152.0
[M-H]- 213.06695 143.5
[M+Na-2H]- 235.04890 152.9
[M]+ 214.07368 148.5
[M]- 214.07478 148.5
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.