CID 92132976

5-methylquinoline-4-carbonitrile

Structural Information

Molecular Formula
C11H8N2
SMILES
CC1=C2C(=CC=NC2=CC=C1)C#N
InChI
InChI=1S/C11H8N2/c1-8-3-2-4-10-11(8)9(7-12)5-6-13-10/h2-6H,1H3
InChIKey
GGYIXRUJFJQZLY-UHFFFAOYSA-N
Compound name
5-methylquinoline-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.06874 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.07602 135.9
[M+Na]+ 191.05796 147.9
[M-H]- 167.06146 138.6
[M+NH4]+ 186.10256 154.3
[M+K]+ 207.03190 142.4
[M+H-H2O]+ 151.06600 122.9
[M+HCOO]- 213.06694 154.8
[M+CH3COO]- 227.08259 148.3
[M+Na-2H]- 189.04341 144.1
[M]+ 168.06819 131.2
[M]- 168.06929 131.2
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.