CID 25097622

Methyl4-methoxy-2-methylidenebutanoate

Structural Information

Molecular Formula
C7H12O3
SMILES
COCCC(=C)C(=O)OC
InChI
InChI=1S/C7H12O3/c1-6(4-5-9-2)7(8)10-3/h1,4-5H2,2-3H3
InChIKey
BRJJKSODKAGEIA-UHFFFAOYSA-N
Compound name
methyl 4-methoxy-2-methylidenebutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 130.7
[M+Na]+ 167.06786 140.1
[M+NH4]+ 162.11246 137.4
[M+K]+ 183.04180 135.9
[M-H]- 143.07136 128.8
[M+Na-2H]- 165.05331 133.2
[M]+ 144.07809 131.1
[M]- 144.07919 131.1
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