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-oxopyridin-1-yl)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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07350 150.9
[M+Na]+ 266.05544 163.8
[M+NH4]+ 261.10004 157.6
[M+K]+ 282.02938 158.5
[M-H]- 242.05894 150.6
[M+Na-2H]- 264.04089 156.3
[M]+ 243.06567 152.8
[M]- 243.06677 152.8
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.