CID 165933092

Tert-butyl 2-(6-chloro-2-oxo-1,2-dihydropyridin-1-yl)acetate

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

CC(C)(C)OC(=O)CN1C(=O)C=CC=C1Cl

InChI

InChI=1S/C11H14ClNO3/c1-11(2,3)16-10(15)7-13-8(12)5-4-6-9(13)14/h4-6H,7H2,1-3H3

InChIKey

COPDZZFNDKGFRC-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-chloro-6-oxo-1-pyridinyl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.06622 Da
Monoisotopic Mass: 2.1
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]+	244.073496	149.3
[M+Na]+	266.055438	159.3
[M-H]-	242.058944	152.2
[M+NH4]+	261.100043	167.0
[M+K]+	282.029378	156.2
[M+H-H2O]+	226.063480	144.0
[M+HCOO]-	288.064421	165.9
[M+CH3COO]-	302.080071	190.3
[M+Na-2H]-	264.040886	154.4
[M]+	243.06567142	154.9
[M]-	243.06676858	154.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.