CID 207821

30831-89-1

Structural Information

Molecular Formula
C11H12N2O
SMILES
CNC(=O)N1CC=CC2=CC=CC=C21
InChI
InChI=1S/C11H12N2O/c1-12-11(14)13-8-4-6-9-5-2-3-7-10(9)13/h2-7H,8H2,1H3,(H,12,14)
InChIKey
KYSHMUXEDIVXGE-UHFFFAOYSA-N
Compound name
N-methyl-2H-quinoline-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.09496 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.10224 139.5
[M+Na]+ 211.08418 146.7
[M-H]- 187.08768 142.5
[M+NH4]+ 206.12878 158.6
[M+K]+ 227.05812 143.9
[M+H-H2O]+ 171.09222 132.4
[M+HCOO]- 233.09316 161.0
[M+CH3COO]- 247.10881 184.4
[M+Na-2H]- 209.06963 147.5
[M]+ 188.09441 137.6
[M]- 188.09551 137.6
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.