CID 118989256

1227581-56-7

Structural Information

Molecular Formula
C8H8FNO2
SMILES
CC1=C(C=CN=C1F)C(=O)OC
InChI
InChI=1S/C8H8FNO2/c1-5-6(8(11)12-2)3-4-10-7(5)9/h3-4H,1-2H3
InChIKey
KCMUVWVASLGRQX-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-3-methylpyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

169.05391 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.06119 130.5
[M+Na]+ 192.04313 140.4
[M-H]- 168.04663 132.2
[M+NH4]+ 187.08773 150.1
[M+K]+ 208.01707 139.1
[M+H-H2O]+ 152.05117 123.6
[M+HCOO]- 214.05211 152.8
[M+CH3COO]- 228.06776 179.2
[M+Na-2H]- 190.02858 136.2
[M]+ 169.05336 131.7
[M]- 169.05446 131.7
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