CID 6537093

Propyl 3-(2-furyl)acrylate

Structural Information

Molecular Formula
C10H12O3
SMILES
CCCOC(=O)/C=C/C1=CC=CO1
InChI
InChI=1S/C10H12O3/c1-2-7-13-10(11)6-5-9-4-3-8-12-9/h3-6,8H,2,7H2,1H3/b6-5+
InChIKey
RRFBKGHLBNBFGL-AATRIKPKSA-N
Compound name
propyl (E)-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

106
Patents

180.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 139.0
[M+Na]+ 203.06786 146.4
[M-H]- 179.07136 143.1
[M+NH4]+ 198.11246 159.5
[M+K]+ 219.04180 146.1
[M+H-H2O]+ 163.07590 133.6
[M+HCOO]- 225.07684 163.1
[M+CH3COO]- 239.09249 178.2
[M+Na-2H]- 201.05331 144.1
[M]+ 180.07809 142.7
[M]- 180.07919 142.7
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.