CID 154883284

2-(5-{[(tert-butoxy)carbonyl]amino}-2-oxo-1,2-dihydropyridin-1-yl)acetic acid

Structural Information

Molecular Formula
C12H16N2O5
SMILES
CC(C)(C)OC(=O)NC1=CN(C(=O)C=C1)CC(=O)O
InChI
InChI=1S/C12H16N2O5/c1-12(2,3)19-11(18)13-8-4-5-9(15)14(6-8)7-10(16)17/h4-6H,7H2,1-3H3,(H,13,18)(H,16,17)
InChIKey
PBOUKOHARUIANO-UHFFFAOYSA-N
Compound name
2-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyridin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

268.10593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.11321 157.8
[M+Na]+ 291.09515 165.0
[M-H]- 267.09865 159.3
[M+NH4]+ 286.13975 172.2
[M+K]+ 307.06909 163.9
[M+H-H2O]+ 251.10319 151.2
[M+HCOO]- 313.10413 177.7
[M+CH3COO]- 327.11978 195.9
[M+Na-2H]- 289.08060 161.7
[M]+ 268.10538 160.6
[M]- 268.10648 160.6
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

patents stripe