CID 22172623

171178-34-0

Structural Information

Molecular Formula
C11H14N2O4
SMILES
CC(C)(C)OC(=O)NC1=C(C=NC=C1)C(=O)O
InChI
InChI=1S/C11H14N2O4/c1-11(2,3)17-10(16)13-8-4-5-12-6-7(8)9(14)15/h4-6H,1-3H3,(H,14,15)(H,12,13,16)
InChIKey
FRZDXLXQZVISAQ-UHFFFAOYSA-N
Compound name
4-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

238.09535 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.10263 152.3
[M+Na]+ 261.08457 161.3
[M+NH4]+ 256.12917 157.1
[M+K]+ 277.05851 158.9
[M-H]- 237.08807 150.9
[M+Na-2H]- 259.07002 156.1
[M]+ 238.09480 152.8
[M]- 238.09590 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

patents stripe