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

3
Patents

197.06075 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.068026 139.6
[M+Na]+ 220.049968 148.2
[M-H]- 196.053474 141.0
[M+NH4]+ 215.094573 159.1
[M+K]+ 236.023908 143.3
[M+H-H2O]+ 180.058010 134.0
[M+HCOO]- 242.058951 153.6
[M+CH3COO]- 256.074601 152.0
[M+Na-2H]- 218.035416 146.2
[M]+ 197.06020142 138.6
[M]- 197.06129858 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