CID 89650007

1445962-42-4

Structural Information

Molecular Formula
C7H7FN2O2
SMILES
COC(=O)C1=C(N=C(C=C1)N)F
InChI
InChI=1S/C7H7FN2O2/c1-12-7(11)4-2-3-5(9)10-6(4)8/h2-3H,1H3,(H2,9,10)
InChIKey
DXDKIPHFKCEHPN-UHFFFAOYSA-N
Compound name
methyl 6-amino-2-fluoropyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

170.04915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.056426 131.3
[M+Na]+ 193.038368 140.7
[M-H]- 169.041874 132.6
[M+NH4]+ 188.082973 150.2
[M+K]+ 209.012308 139.2
[M+H-H2O]+ 153.046410 124.1
[M+HCOO]- 215.047351 154.3
[M+CH3COO]- 229.063001 180.4
[M+Na-2H]- 191.023816 136.7
[M]+ 170.04860142 130.3
[M]- 170.04969858 130.3
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