CID 6365868

2-furylmethyl 2-methylcrotonate

Structural Information

Molecular Formula
C10H12O3
SMILES
C/C=C(\C)/C(=O)OCC1=CC=CO1
InChI
InChI=1S/C10H12O3/c1-3-8(2)10(11)13-7-9-5-4-6-12-9/h3-6H,7H2,1-2H3/b8-3+
InChIKey
WCLYKOBJVINYIY-FPYGCLRLSA-N
Compound name
furan-2-ylmethyl (E)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

180.07864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 139.5
[M+Na]+ 203.067858 146.6
[M-H]- 179.071364 143.7
[M+NH4]+ 198.112463 159.9
[M+K]+ 219.041798 146.8
[M+H-H2O]+ 163.075900 134.2
[M+HCOO]- 225.076841 162.7
[M+CH3COO]- 239.092491 179.0
[M+Na-2H]- 201.053306 143.4
[M]+ 180.07809142 142.6
[M]- 180.07918858 142.6
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.