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]+ 183.09168 139.8
[M+Na]+ 205.07362 152.2
[M-H]- 181.07712 142.8
[M+NH4]+ 200.11822 158.1
[M+K]+ 221.04756 146.7
[M+H-H2O]+ 165.08166 126.9
[M+HCOO]- 227.08260 158.4
[M+CH3COO]- 241.09825 152.2
[M+Na-2H]- 203.05907 146.9
[M]+ 182.08385 135.9
[M]- 182.08495 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.