CID 12469958

1,2,3,4-tetrahydroquinoline-8-carbaldehyde hydrochloride

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC2=C(C(=CC=C2)C=O)NC1
InChI
InChI=1S/C10H11NO/c12-7-9-4-1-3-8-5-2-6-11-10(8)9/h1,3-4,7,11H,2,5-6H2
InChIKey
HJEYKUWXOZQEEE-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydroquinoline-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

161.08406 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 132.5
[M+Na]+ 184.07328 139.7
[M-H]- 160.07678 133.8
[M+NH4]+ 179.11788 152.2
[M+K]+ 200.04722 136.0
[M+H-H2O]+ 144.08132 126.1
[M+HCOO]- 206.08226 151.4
[M+CH3COO]- 220.09791 174.7
[M+Na-2H]- 182.05873 140.3
[M]+ 161.08351 128.4
[M]- 161.08461 128.4
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