CID 2762480

295349-62-1

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

CC(C)(C)OC(=O)C1=CC(=NC=C1)Cl

InChI

InChI=1S/C10H12ClNO2/c1-10(2,3)14-9(13)7-4-5-12-8(11)6-7/h4-6H,1-3H3

InChIKey

FPUSSPQEUANTGI-UHFFFAOYSA-N

Compound name

tert-butyl 2-chloropyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
Patents: 213.05565 Da
Monoisotopic Mass: 2.4
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]+	214.062926	143.4
[M+Na]+	236.044868	152.7
[M-H]-	212.048374	146.1
[M+NH4]+	231.089473	162.1
[M+K]+	252.018808	149.9
[M+H-H2O]+	196.052910	138.1
[M+HCOO]-	258.053851	159.9
[M+CH3COO]-	272.069501	184.9
[M+Na-2H]-	234.030316	149.6
[M]+	213.05510142	147.5
[M]-	213.05619858	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe