CID 12318317

5,6-dihydroquinoline

Structural Information

Molecular Formula
C9H9N
SMILES
C1CC2=C(C=C1)N=CC=C2
InChI
InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h2-3,5-7H,1,4H2
InChIKey
ROLKDXFFBNOIDS-UHFFFAOYSA-N
Compound name
5,6-dihydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1102
Patents

131.0735 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.080776 123.4
[M+Na]+ 154.062718 131.3
[M-H]- 130.066224 126.4
[M+NH4]+ 149.107323 145.0
[M+K]+ 170.036658 128.7
[M+H-H2O]+ 114.070760 117.0
[M+HCOO]- 176.071701 145.3
[M+CH3COO]- 190.087351 137.4
[M+Na-2H]- 152.048166 134.2
[M]+ 131.07295142 121.2
[M]- 131.07404858 121.2
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