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]+ 184.086926 140.6
[M+Na]+ 206.068868 151.6
[M-H]- 182.072374 143.1
[M+NH4]+ 201.113473 158.1
[M+K]+ 222.042808 146.4
[M+H-H2O]+ 166.076910 127.2
[M+HCOO]- 228.077851 160.3
[M+CH3COO]- 242.093501 152.4
[M+Na-2H]- 204.054316 148.9
[M]+ 183.07910142 135.3
[M]- 183.08019858 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.