CID 22177094

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

Structural Information

Molecular Formula
C10H12N2O
SMILES
C1CC2=CC=CC=C2NC1C(=O)N
InChI
InChI=1S/C10H12N2O/c11-10(13)9-6-5-7-3-1-2-4-8(7)12-9/h1-4,9,12H,5-6H2,(H2,11,13)
InChIKey
OFBPSKIFXNJCAG-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

176.09496 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe