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]+ 255.09755 154.0
[M+Na]+ 277.07949 161.2
[M-H]- 253.08299 154.2
[M+NH4]+ 272.12409 168.2
[M+K]+ 293.05343 159.5
[M+H-H2O]+ 237.08753 147.8
[M+HCOO]- 299.08847 172.7
[M+CH3COO]- 313.10412 190.6
[M+Na-2H]- 275.06494 157.8
[M]+ 254.08972 154.5
[M]- 254.09082 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.