CID 230481

6-methoxyquinoline-2-carbonitrile

Structural Information

Molecular Formula
C11H8N2O
SMILES
COC1=CC2=C(C=C1)N=C(C=C2)C#N
InChI
InChI=1S/C11H8N2O/c1-14-10-4-5-11-8(6-10)2-3-9(7-12)13-11/h2-6H,1H3
InChIKey
MOBUAKGGKVGTIE-UHFFFAOYSA-N
Compound name
6-methoxyquinoline-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

66
Patents

184.06366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07094 138.5
[M+Na]+ 207.05288 150.3
[M-H]- 183.05638 141.2
[M+NH4]+ 202.09748 156.2
[M+K]+ 223.02682 145.4
[M+H-H2O]+ 167.06092 125.2
[M+HCOO]- 229.06186 157.5
[M+CH3COO]- 243.07751 150.7
[M+Na-2H]- 205.03833 146.6
[M]+ 184.06311 135.1
[M]- 184.06421 135.1
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