CID 165877868

Methyl 6-oxo-1-(prop-2-yn-1-yl)-1,6-dihydropyridine-3-carboxylate

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC(=O)C1=CN(C(=O)C=C1)CC#C
InChI
InChI=1S/C10H9NO3/c1-3-6-11-7-8(10(13)14-2)4-5-9(11)12/h1,4-5,7H,6H2,2H3
InChIKey
MUTLXGPSFKVTSK-UHFFFAOYSA-N
Compound name
methyl 6-oxo-1-prop-2-ynylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 137.3
[M+Na]+ 214.047458 148.5
[M-H]- 190.050964 138.4
[M+NH4]+ 209.092063 153.6
[M+K]+ 230.021398 145.6
[M+H-H2O]+ 174.055500 124.8
[M+HCOO]- 236.056441 154.5
[M+CH3COO]- 250.072091 190.2
[M+Na-2H]- 212.032906 141.5
[M]+ 191.05769142 134.5
[M]- 191.05878858 134.5
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.