CID 18071379

1,2,3,4-tetrahydroquinoline-5-carboxamide

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC2=C(C=CC=C2NC1)C(=O)N
InChI
InChI=1S/C10H12N2O/c11-10(13)8-3-1-5-9-7(8)4-2-6-12-9/h1,3,5,12H,2,4,6H2,(H2,11,13)
InChIKey
VGOSHSFVBSXTOZ-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroquinoline-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

176.09496 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10224 136.8
[M+Na]+ 199.08418 142.9
[M-H]- 175.08768 137.7
[M+NH4]+ 194.12878 155.3
[M+K]+ 215.05812 139.3
[M+H-H2O]+ 159.09222 130.3
[M+HCOO]- 221.09316 155.1
[M+CH3COO]- 235.10881 179.9
[M+Na-2H]- 197.06963 142.8
[M]+ 176.09441 130.5
[M]- 176.09551 130.5
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

patents stripe