CID 16781621

5-chloro-8-methoxy-1,2,3,4-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula
C10H12ClNO
SMILES
COC1=C2C(=C(C=C1)Cl)CCCN2
InChI
InChI=1S/C10H12ClNO/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9/h4-5,12H,2-3,6H2,1H3
InChIKey
FIXUHIRMJLPQMO-UHFFFAOYSA-N
Compound name
5-chloro-8-methoxy-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

197.06075 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06803 139.6
[M+Na]+ 220.04997 148.2
[M-H]- 196.05347 141.0
[M+NH4]+ 215.09457 159.1
[M+K]+ 236.02391 143.3
[M+H-H2O]+ 180.05801 134.0
[M+HCOO]- 242.05895 153.6
[M+CH3COO]- 256.07460 152.0
[M+Na-2H]- 218.03542 146.2
[M]+ 197.06020 138.6
[M]- 197.06130 138.6
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