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

11
Patents

252.11101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11829 156.4
[M+Na]+ 275.10023 163.1
[M-H]- 251.10373 158.9
[M+NH4]+ 270.14483 172.1
[M+K]+ 291.07417 162.8
[M+H-H2O]+ 235.10827 149.4
[M+HCOO]- 297.10921 177.5
[M+CH3COO]- 311.12486 194.9
[M+Na-2H]- 273.08568 161.3
[M]+ 252.11046 159.8
[M]- 252.11156 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