CID 125511778

2-{[(tert-butoxy)carbonyl]amino}-4-hydroxypyridine-3-carboxylic acid

Structural Information

Molecular Formula
C11H14N2O5
SMILES
CC(C)(C)OC(=O)NC1=C(C(=O)C=CN1)C(=O)O
InChI
InChI=1S/C11H14N2O5/c1-11(2,3)18-10(17)13-8-7(9(15)16)6(14)4-5-12-8/h4-5H,1-3H3,(H,15,16)(H2,12,13,14,17)
InChIKey
JCSAPAPRHBSUSN-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-1H-pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09027 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.097546 154.0
[M+Na]+ 277.079488 161.2
[M-H]- 253.082994 154.2
[M+NH4]+ 272.124093 168.2
[M+K]+ 293.053428 159.5
[M+H-H2O]+ 237.087530 147.8
[M+HCOO]- 299.088471 172.7
[M+CH3COO]- 313.104121 190.6
[M+Na-2H]- 275.064936 157.8
[M]+ 254.08972142 154.5
[M]- 254.09081858 154.5
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.