CID 86775660

1286777-05-6

Structural Information

Molecular Formula

C₁₀H₁₀FNO₃

SMILES

C1CC1COC2=CC(=C(N=C2)C(=O)O)F

InChI

InChI=1S/C10H10FNO3/c11-8-3-7(15-5-6-1-2-6)4-12-9(8)10(13)14/h3-4,6H,1-2,5H2,(H,13,14)

InChIKey

KCJISHKAUURYHR-UHFFFAOYSA-N

Compound name

5-(cyclopropylmethoxy)-3-fluoropyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 211.06447 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.07175	142.8
[M+Na]+	234.05369	152.9
[M-H]-	210.05719	146.8
[M+NH4]+	229.09829	154.9
[M+K]+	250.02763	149.2
[M+H-H2O]+	194.06173	134.7
[M+HCOO]-	256.06267	163.6
[M+CH3COO]-	270.07832	187.1
[M+Na-2H]-	232.03914	147.2
[M]+	211.06392	145.4
[M]-	211.06502	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe