CID 6366272

93859-17-7

Structural Information

Molecular Formula
C12H16O3
SMILES
CC(C)CCOC(=O)/C=C/C1=COC=C1
InChI
InChI=1S/C12H16O3/c1-10(2)5-8-15-12(13)4-3-11-6-7-14-9-11/h3-4,6-7,9-10H,5,8H2,1-2H3/b4-3+
InChIKey
XKXQGYBDCCQWPU-ONEGZZNKSA-N
Compound name
3-methylbutyl (E)-3-(furan-3-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.10994 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.117216 149.2
[M+Na]+ 231.099158 155.4
[M-H]- 207.102664 153.0
[M+NH4]+ 226.143763 168.4
[M+K]+ 247.073098 155.1
[M+H-H2O]+ 191.107200 143.4
[M+HCOO]- 253.108141 171.6
[M+CH3COO]- 267.123791 185.0
[M+Na-2H]- 229.084606 151.9
[M]+ 208.10939142 152.9
[M]- 208.11048858 152.9
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.