CID 155971102

Tert-butyl 2-(5-iodo-2-oxo-1,2-dihydropyridin-1-yl)acetate

Structural Information

Molecular Formula
C11H14INO3
SMILES
CC(C)(C)OC(=O)CN1C=C(C=CC1=O)I
InChI
InChI=1S/C11H14INO3/c1-11(2,3)16-10(15)7-13-6-8(12)4-5-9(13)14/h4-6H,7H2,1-3H3
InChIKey
BDZMOWLHGFADLQ-UHFFFAOYSA-N
Compound name
tert-butyl 2-(5-iodo-2-oxopyridin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.00183 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.00911 158.5
[M+Na]+ 357.99105 160.2
[M-H]- 333.99455 154.3
[M+NH4]+ 353.03565 170.9
[M+K]+ 373.96499 164.6
[M+H-H2O]+ 317.99909 148.6
[M+HCOO]- 380.00003 174.3
[M+CH3COO]- 394.01568 197.4
[M+Na-2H]- 355.97650 151.3
[M]+ 335.00128 159.4
[M]- 335.00238 159.4
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.