CID 167741543

5-(2-{[(tert-butoxy)carbonyl]amino}ethoxy)pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CC(C)(C)OC(=O)NCCOC1=CN=CC(=C1)C(=O)O
InChI
InChI=1S/C13H18N2O5/c1-13(2,3)20-12(18)15-4-5-19-10-6-9(11(16)17)7-14-8-10/h6-8H,4-5H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
OXJCBTWGLKQGOG-UHFFFAOYSA-N
Compound name
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12886 163.7
[M+Na]+ 305.11080 171.8
[M+NH4]+ 300.15540 167.5
[M+K]+ 321.08474 169.4
[M-H]- 281.11430 161.6
[M+Na-2H]- 303.09625 166.5
[M]+ 282.12103 163.7
[M]- 282.12213 163.7
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.