CID 21879719

169280-82-4

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CCOC(=O)C1=CN=C(C=C1)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H18N2O4/c1-5-18-11(16)9-6-7-10(14-8-9)15-12(17)19-13(2,3)4/h6-8H,5H2,1-4H3,(H,14,15,17)
InChIKey
MCQWEDNIHBKKJY-UHFFFAOYSA-N
Compound name
ethyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

266.12665 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 161.0
[M+Na]+ 289.115868 167.3
[M-H]- 265.119374 163.4
[M+NH4]+ 284.160473 176.2
[M+K]+ 305.089808 166.8
[M+H-H2O]+ 249.123910 153.9
[M+HCOO]- 311.124851 181.8
[M+CH3COO]- 325.140501 197.9
[M+Na-2H]- 287.101316 165.4
[M]+ 266.12610142 164.9
[M]- 266.12719858 164.9
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