CID 24208788

773134-09-1

Structural Information

Molecular Formula
C12H16N2O3
SMILES
CC(C)(C)C(=O)NC1=C(C=NC=C1)C(=O)OC
InChI
InChI=1S/C12H16N2O3/c1-12(2,3)11(16)14-9-5-6-13-7-8(9)10(15)17-4/h5-7H,1-4H3,(H,13,14,16)
InChIKey
ILNZHJXGMNBCSG-UHFFFAOYSA-N
Compound name
methyl 4-(2,2-dimethylpropanoylamino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.11609 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.123366 153.4
[M+Na]+ 259.105308 160.1
[M-H]- 235.108814 155.9
[M+NH4]+ 254.149913 169.7
[M+K]+ 275.079248 159.2
[M+H-H2O]+ 219.113350 146.6
[M+HCOO]- 281.114291 174.3
[M+CH3COO]- 295.129941 193.4
[M+Na-2H]- 257.090756 158.1
[M]+ 236.11554142 155.5
[M]- 236.11663858 155.5
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.