CID 16788527

5-fluoro-8-methyl-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C10H12FN
SMILES
CC1=C2C(=C(C=C1)F)CCCN2
InChI
InChI=1S/C10H12FN/c1-7-4-5-9(11)8-3-2-6-12-10(7)8/h4-5,12H,2-3,6H2,1H3
InChIKey
XXECYMKZLJNSOX-UHFFFAOYSA-N
Compound name
5-fluoro-8-methyl-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.09538 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10266 134.6
[M+Na]+ 188.08460 147.5
[M+NH4]+ 183.12920 143.9
[M+K]+ 204.05854 140.0
[M-H]- 164.08810 136.0
[M+Na-2H]- 186.07005 140.6
[M]+ 165.09483 136.8
[M]- 165.09593 136.8
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

No patent data available for this compound.