CID 72207594

1314394-77-8

Structural Information

Molecular Formula
C5H6FN3
SMILES
C1=C(C=NC(=N1)CN)F
InChI
InChI=1S/C5H6FN3/c6-4-2-8-5(1-7)9-3-4/h2-3H,1,7H2
InChIKey
FTICWNZYNXHPMQ-UHFFFAOYSA-N
Compound name
(5-fluoropyrimidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

127.05457 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.061846 121.4
[M+Na]+ 150.043788 130.8
[M-H]- 126.047294 121.0
[M+NH4]+ 145.088393 140.6
[M+K]+ 166.017728 128.7
[M+H-H2O]+ 110.051830 113.7
[M+HCOO]- 172.052771 144.1
[M+CH3COO]- 186.068421 172.5
[M+Na-2H]- 148.029236 130.0
[M]+ 127.05402142 118.5
[M]- 127.05511858 118.5
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

patents stripe