CID 45116207

(5-fluoropyridin-3-yl)methanamine

Structural Information

Molecular Formula
C6H7FN2
SMILES
C1=C(C=NC=C1F)CN
InChI
InChI=1S/C6H7FN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H,2,8H2
InChIKey
RYICOVXDBBDCNT-UHFFFAOYSA-N
Compound name
(5-fluoro-3-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

213
Patents

126.059326 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.066602 121.2
[M+Na]+ 149.048544 130.1
[M-H]- 125.052050 122.1
[M+NH4]+ 144.093149 141.8
[M+K]+ 165.022484 128.0
[M+H-H2O]+ 109.056586 114.2
[M+HCOO]- 171.057527 144.9
[M+CH3COO]- 185.073177 172.8
[M+Na-2H]- 147.033992 129.2
[M]+ 126.05877742 118.1
[M]- 126.05987458 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

No literature data available for this compound.

Patent stripe

patents stripe