CID 12083035

5,6,7,8-tetrahydroquinoline-3-carbaldehyde

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CCC2=C(C1)C=C(C=N2)C=O
InChI
InChI=1S/C10H11NO/c12-7-8-5-9-3-1-2-4-10(9)11-6-8/h5-7H,1-4H2
InChIKey
FZKSVGAJWHNIQO-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroquinoline-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

161.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 131.9
[M+Na]+ 184.07328 139.5
[M-H]- 160.07678 134.6
[M+NH4]+ 179.11788 152.3
[M+K]+ 200.04722 136.7
[M+H-H2O]+ 144.08132 125.2
[M+HCOO]- 206.08226 152.3
[M+CH3COO]- 220.09791 177.4
[M+Na-2H]- 182.05873 140.2
[M]+ 161.08351 129.6
[M]- 161.08461 129.6
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

patents stripe