CID 5321849

5,6,7,8-tetrahydro-2,4-dimethylquinoline

Structural Information

Molecular Formula
C11H15N
SMILES
CC1=CC(=NC2=C1CCCC2)C
InChI
InChI=1S/C11H15N/c1-8-7-9(2)12-11-6-4-3-5-10(8)11/h7H,3-6H2,1-2H3
InChIKey
ZBIKAJHAGKBFKR-UHFFFAOYSA-N
Compound name
2,4-dimethyl-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

161.12045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.12773 134.3
[M+Na]+ 184.10967 142.2
[M-H]- 160.11317 137.3
[M+NH4]+ 179.15427 155.2
[M+K]+ 200.08361 139.3
[M+H-H2O]+ 144.11771 127.8
[M+HCOO]- 206.11865 153.9
[M+CH3COO]- 220.13430 180.4
[M+Na-2H]- 182.09512 141.3
[M]+ 161.11990 132.0
[M]- 161.12100 132.0
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