CID 264302

2-(quinolin-2-yl)acetonitrile

Structural Information

Molecular Formula
C11H8N2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CC#N
InChI
InChI=1S/C11H8N2/c12-8-7-10-6-5-9-3-1-2-4-11(9)13-10/h1-6H,7H2
InChIKey
UNFOICLZNBECOR-UHFFFAOYSA-N
Compound name
2-quinolin-2-ylacetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

208
Patents

168.06874 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 135.9
[M+Na]+ 191.05796 147.1
[M-H]- 167.06146 138.2
[M+NH4]+ 186.10256 154.0
[M+K]+ 207.03190 141.5
[M+H-H2O]+ 151.06600 122.6
[M+HCOO]- 213.06694 154.8
[M+CH3COO]- 227.08259 148.0
[M+Na-2H]- 189.04341 144.7
[M]+ 168.06819 130.9
[M]- 168.06929 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe