CID 13712180

8-chloro-5,6,7,8-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula
C9H10ClN
SMILES
C1CC(C2=C(C1)C=CC=N2)Cl
InChI
InChI=1S/C9H10ClN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h2,4,6,8H,1,3,5H2
InChIKey
HGGWYJGOBNJZRY-UHFFFAOYSA-N
Compound name
8-chloro-5,6,7,8-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

167.05017 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.057446 131.5
[M+Na]+ 190.039388 140.1
[M-H]- 166.042894 134.1
[M+NH4]+ 185.083993 152.7
[M+K]+ 206.013328 135.8
[M+H-H2O]+ 150.047430 125.7
[M+HCOO]- 212.048371 147.2
[M+CH3COO]- 226.064021 144.8
[M+Na-2H]- 188.024836 139.8
[M]+ 167.04962142 130.1
[M]- 167.05071858 130.1
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