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]+ 169.076016 135.9
[M+Na]+ 191.057958 147.9
[M-H]- 167.061464 138.6
[M+NH4]+ 186.102563 154.3
[M+K]+ 207.031898 142.4
[M+H-H2O]+ 151.066000 122.9
[M+HCOO]- 213.066941 154.8
[M+CH3COO]- 227.082591 148.3
[M+Na-2H]- 189.043406 144.1
[M]+ 168.06819142 131.2
[M]- 168.06928858 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.