CID 59634618

8-fluoro-2-methylquinolin-3-amine

Structural Information

Molecular Formula
C10H9FN2
SMILES
CC1=C(C=C2C=CC=C(C2=N1)F)N
InChI
InChI=1S/C10H9FN2/c1-6-9(12)5-7-3-2-4-8(11)10(7)13-6/h2-5H,12H2,1H3
InChIKey
IARKJQHRKMYCBU-UHFFFAOYSA-N
Compound name
8-fluoro-2-methylquinolin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

176.07498 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08226 134.2
[M+Na]+ 199.06420 144.8
[M-H]- 175.06770 136.5
[M+NH4]+ 194.10880 154.3
[M+K]+ 215.03814 140.8
[M+H-H2O]+ 159.07224 126.9
[M+HCOO]- 221.07318 156.4
[M+CH3COO]- 235.08883 147.9
[M+Na-2H]- 197.04965 141.8
[M]+ 176.07443 132.2
[M]- 176.07553 132.2
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