CID 165885423

2870681-96-0

Structural Information

Molecular Formula

C₁₅H₁₆ClNO₃

SMILES

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)N=C(C=C2)Cl

InChI

InChI=1S/C15H16ClNO3/c1-15(2,3)20-14(18)9-19-11-5-6-12-10(8-11)4-7-13(16)17-12/h4-8H,9H2,1-3H3

InChIKey

KXUJHBHOSJZTHE-UHFFFAOYSA-N

Compound name

tert-butyl 2-(2-chloroquinolin-6-yl)oxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.08188 Da
Monoisotopic Mass: 4.0
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]+	294.089156	165.1
[M+Na]+	316.071098	174.4
[M-H]-	292.074604	168.5
[M+NH4]+	311.115703	181.6
[M+K]+	332.045038	170.5
[M+H-H2O]+	276.079140	158.7
[M+HCOO]-	338.080081	179.9
[M+CH3COO]-	352.095731	200.6
[M+Na-2H]-	314.056546	171.3
[M]+	293.08133142	171.7
[M]-	293.08242858	171.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.