CID 45480462

870063-62-0

Structural Information

Molecular Formula
C6H7FN2
SMILES
C1=CN=CC(=C1CN)F
InChI
InChI=1S/C6H7FN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H,3,8H2
InChIKey
YPJQSIDUEOBFTE-UHFFFAOYSA-N
Compound name
(3-fluoropyridin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

182
Patents

126.059326 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.06660 121.2
[M+Na]+ 149.04854 130.1
[M-H]- 125.05205 122.1
[M+NH4]+ 144.09315 141.8
[M+K]+ 165.02248 128.0
[M+H-H2O]+ 109.05659 114.2
[M+HCOO]- 171.05753 144.9
[M+CH3COO]- 185.07318 172.8
[M+Na-2H]- 147.03399 129.2
[M]+ 126.05878 118.1
[M]- 126.05987 118.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe