CID 145787

5382-42-3

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(=O)N
InChI
InChI=1S/C10H8N2O/c11-10(13)9-6-5-7-3-1-2-4-8(7)12-9/h1-6H,(H2,11,13)
InChIKey
ZEXKKIXCRDTKBF-UHFFFAOYSA-N
Compound name
quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

3278
Patents

172.06366 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.070936 133.5
[M+Na]+ 195.052878 142.1
[M-H]- 171.056384 136.6
[M+NH4]+ 190.097483 153.0
[M+K]+ 211.026818 138.9
[M+H-H2O]+ 155.060920 126.7
[M+HCOO]- 217.061861 156.3
[M+CH3COO]- 231.077511 181.7
[M+Na-2H]- 193.038326 142.1
[M]+ 172.06311142 131.9
[M]- 172.06420858 131.9
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