CID 5371129

Isobutyl 3-(2-furyl)acrylate

Structural Information

Molecular Formula
C11H14O3
SMILES
CC(C)COC(=O)/C=C/C1=CC=CO1
InChI
InChI=1S/C11H14O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-7,9H,8H2,1-2H3/b6-5+
InChIKey
MXXZZSWRRDGWLK-AATRIKPKSA-N
Compound name
2-methylpropyl (E)-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.101576 144.4
[M+Na]+ 217.083518 151.0
[M-H]- 193.087024 148.4
[M+NH4]+ 212.128123 164.2
[M+K]+ 233.057458 151.0
[M+H-H2O]+ 177.091560 138.8
[M+HCOO]- 239.092501 167.2
[M+CH3COO]- 253.108151 182.0
[M+Na-2H]- 215.068966 147.7
[M]+ 194.09375142 147.8
[M]- 194.09484858 147.8
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.