CID 211905

(5-fluoropyridin-3-yl)methyl 2,2-dimethylpropanoate

Structural Information

Molecular Formula

C₁₁H₁₄FNO₂

SMILES

CC(C)(C)C(=O)OCC1=CC(=CN=C1)F

InChI

InChI=1S/C11H14FNO2/c1-11(2,3)10(14)15-7-8-4-9(12)6-13-5-8/h4-6H,7H2,1-3H3

InChIKey

RNVUEHVJYAHILP-UHFFFAOYSA-N

Compound name

(5-fluoro-3-pyridinyl)methyl 2,2-dimethylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 211.10086 Da
Monoisotopic Mass: 2.0
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]+	212.108136	145.4
[M+Na]+	234.090078	153.6
[M-H]-	210.093584	146.7
[M+NH4]+	229.134683	163.3
[M+K]+	250.064018	152.0
[M+H-H2O]+	194.098120	138.3
[M+HCOO]-	256.099061	165.1
[M+CH3COO]-	270.114711	186.8
[M+Na-2H]-	232.075526	150.9
[M]+	211.10031142	146.8
[M]-	211.10140858	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.