CID 54593672

2-(methylamino)quinoline-4-carbonitrile

Structural Information

Molecular Formula
C11H9N3
SMILES
CNC1=NC2=CC=CC=C2C(=C1)C#N
InChI
InChI=1S/C11H9N3/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)14-11/h2-6H,1H3,(H,13,14)
InChIKey
CBKYBPQWMMTFMT-UHFFFAOYSA-N
Compound name
2-(methylamino)quinoline-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.07965 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.08693 140.6
[M+Na]+ 206.06887 151.6
[M-H]- 182.07237 143.1
[M+NH4]+ 201.11347 158.1
[M+K]+ 222.04281 146.4
[M+H-H2O]+ 166.07691 127.2
[M+HCOO]- 228.07785 160.3
[M+CH3COO]- 242.09350 152.4
[M+Na-2H]- 204.05432 148.9
[M]+ 183.07910 135.3
[M]- 183.08020 135.3
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.