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

72
Patents

127.05457 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.06185 121.4
[M+Na]+ 150.04379 130.8
[M-H]- 126.04729 121.0
[M+NH4]+ 145.08839 140.6
[M+K]+ 166.01773 128.7
[M+H-H2O]+ 110.05183 113.7
[M+HCOO]- 172.05277 144.1
[M+CH3COO]- 186.06842 172.5
[M+Na-2H]- 148.02924 130.0
[M]+ 127.05402 118.5
[M]- 127.05512 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