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]+ 192.06552 137.3
[M+Na]+ 214.04746 148.5
[M-H]- 190.05096 138.4
[M+NH4]+ 209.09206 153.6
[M+K]+ 230.02140 145.6
[M+H-H2O]+ 174.05550 124.8
[M+HCOO]- 236.05644 154.5
[M+CH3COO]- 250.07209 190.2
[M+Na-2H]- 212.03291 141.5
[M]+ 191.05769 134.5
[M]- 191.05879 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.