CID 49760370

912369-42-7

Structural Information

Molecular Formula
C12H16N2O4
SMILES
CC(C)(C)OC(=O)NC1=C(N=CC=C1)C(=O)OC
InChI
InChI=1S/C12H16N2O4/c1-12(2,3)18-11(16)14-8-6-5-7-13-9(8)10(15)17-4/h5-7H,1-4H3,(H,14,16)
InChIKey
AWHQAUKVCWXFSV-UHFFFAOYSA-N
Compound name
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

252.11101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.118286 156.4
[M+Na]+ 275.100228 163.1
[M-H]- 251.103734 158.9
[M+NH4]+ 270.144833 172.1
[M+K]+ 291.074168 162.8
[M+H-H2O]+ 235.108270 149.4
[M+HCOO]- 297.109211 177.5
[M+CH3COO]- 311.124861 194.9
[M+Na-2H]- 273.085676 161.3
[M]+ 252.11046142 159.8
[M]- 252.11155858 159.8
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