CID 11521348

Tert-butyl 6-chloronicotinate

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₂

SMILES

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

InChI

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

InChIKey

OFRLMTIBUAXBGV-UHFFFAOYSA-N

Compound name

tert-butyl 6-chloropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 233
Patents: 213.05565 Da
Monoisotopic Mass: 2.7
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]+	214.06293	144.5
[M+Na]+	236.04487	157.7
[M+NH4]+	231.08947	152.3
[M+K]+	252.01881	152.0
[M-H]-	212.04837	145.0
[M+Na-2H]-	234.03032	151.0
[M]+	213.05510	146.8
[M]-	213.05620	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe