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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08916 165.1
[M+Na]+ 316.07110 174.4
[M-H]- 292.07460 168.5
[M+NH4]+ 311.11570 181.6
[M+K]+ 332.04504 170.5
[M+H-H2O]+ 276.07914 158.7
[M+HCOO]- 338.08008 179.9
[M+CH3COO]- 352.09573 200.6
[M+Na-2H]- 314.05655 171.3
[M]+ 293.08133 171.7
[M]- 293.08243 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.