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 146.2
[M+Na]+ 237.06345 157.1
[M-H]- 213.06695 147.5
[M+NH4]+ 232.10805 162.1
[M+K]+ 253.03739 151.9
[M+H-H2O]+ 197.07149 132.9
[M+HCOO]- 259.07243 163.8
[M+CH3COO]- 273.08808 197.2
[M+Na-2H]- 235.04890 153.4
[M]+ 214.07368 142.7
[M]- 214.07478 142.7
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.