CID 72217428

(6-fluoro-5-methylpyridin-3-yl)methanamine

Structural Information

Molecular Formula
C7H9FN2
SMILES
CC1=CC(=CN=C1F)CN
InChI
InChI=1S/C7H9FN2/c1-5-2-6(3-9)4-10-7(5)8/h2,4H,3,9H2,1H3
InChIKey
SBMFOLKLXDSSCC-UHFFFAOYSA-N
Compound name
(6-fluoro-5-methyl-3-pyridinyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

140.07498 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.082256 125.8
[M+Na]+ 163.064198 135.3
[M-H]- 139.067704 127.0
[M+NH4]+ 158.108803 146.2
[M+K]+ 179.038138 132.9
[M+H-H2O]+ 123.072240 118.9
[M+HCOO]- 185.073181 149.1
[M+CH3COO]- 199.088831 177.0
[M+Na-2H]- 161.049646 132.5
[M]+ 140.07443142 123.4
[M]- 140.07552858 123.4
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