CID 16205864

2-methyl-4-oxo-4h-pyran-3-yl 3-methyl-2-butenoate

Structural Information

Molecular Formula
C11H12O4
SMILES
CC1=C(C(=O)C=CO1)OC(=O)C=C(C)C
InChI
InChI=1S/C11H12O4/c1-7(2)6-10(13)15-11-8(3)14-5-4-9(11)12/h4-6H,1-3H3
InChIKey
RGFWHIQAWJMOBE-UHFFFAOYSA-N
Compound name
(2-methyl-4-oxopyran-3-yl) 3-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07356 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.080836 141.0
[M+Na]+ 231.062778 150.0
[M-H]- 207.066284 146.1
[M+NH4]+ 226.107383 159.1
[M+K]+ 247.036718 149.9
[M+H-H2O]+ 191.070820 135.4
[M+HCOO]- 253.071761 163.7
[M+CH3COO]- 267.087411 185.8
[M+Na-2H]- 229.048226 145.6
[M]+ 208.07301142 145.5
[M]- 208.07410858 145.5
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.