CID 75355789

(8-fluoroquinolin-3-yl)methanamine

Structural Information

Molecular Formula
C10H9FN2
SMILES
C1=CC2=CC(=CN=C2C(=C1)F)CN
InChI
InChI=1S/C10H9FN2/c11-9-3-1-2-8-4-7(5-12)6-13-10(8)9/h1-4,6H,5,12H2
InChIKey
XEVYXTJXXQGUIR-UHFFFAOYSA-N
Compound name
(8-fluoroquinolin-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.07498 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.08226 133.9
[M+Na]+ 199.06420 143.6
[M-H]- 175.06770 135.8
[M+NH4]+ 194.10880 153.7
[M+K]+ 215.03814 139.5
[M+H-H2O]+ 159.07224 126.3
[M+HCOO]- 221.07318 156.2
[M+CH3COO]- 235.08883 147.3
[M+Na-2H]- 197.04965 142.3
[M]+ 176.07443 131.5
[M]- 176.07553 131.5
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.