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

79
Patents

266.12665 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 161.0
[M+Na]+ 289.11587 167.3
[M-H]- 265.11937 163.4
[M+NH4]+ 284.16047 176.2
[M+K]+ 305.08981 166.8
[M+H-H2O]+ 249.12391 153.9
[M+HCOO]- 311.12485 181.8
[M+CH3COO]- 325.14050 197.9
[M+Na-2H]- 287.10132 165.4
[M]+ 266.12610 164.9
[M]- 266.12720 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