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]+ 215.081506 146.2
[M+Na]+ 237.063448 157.1
[M-H]- 213.066954 147.5
[M+NH4]+ 232.108053 162.1
[M+K]+ 253.037388 151.9
[M+H-H2O]+ 197.071490 132.9
[M+HCOO]- 259.072431 163.8
[M+CH3COO]- 273.088081 197.2
[M+Na-2H]- 235.048896 153.4
[M]+ 214.07368142 142.7
[M]- 214.07477858 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.