CID 146049411

7,8-dimethylquinoline-5-carbonitrile

Structural Information

Molecular Formula
C12H10N2
SMILES
CC1=CC(=C2C=CC=NC2=C1C)C#N
InChI
InChI=1S/C12H10N2/c1-8-6-10(7-13)11-4-3-5-14-12(11)9(8)2/h3-6H,1-2H3
InChIKey
ZVOACQZMHSCTQR-UHFFFAOYSA-N
Compound name
7,8-dimethylquinoline-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0844 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.091676 139.8
[M+Na]+ 205.073618 152.2
[M-H]- 181.077124 142.8
[M+NH4]+ 200.118223 158.1
[M+K]+ 221.047558 146.7
[M+H-H2O]+ 165.081660 126.9
[M+HCOO]- 227.082601 158.4
[M+CH3COO]- 241.098251 152.2
[M+Na-2H]- 203.059066 146.9
[M]+ 182.08385142 135.9
[M]- 182.08494858 135.9
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.