CID 6429346

Isoeugenyl isobutyrate, (e)-

Structural Information

Molecular Formula
C14H18O3
SMILES
C/C=C/C1=CC(=C(C=C1)OC(=O)C(C)C)OC
InChI
InChI=1S/C14H18O3/c1-5-6-11-7-8-12(13(9-11)16-4)17-14(15)10(2)3/h5-10H,1-4H3/b6-5+
InChIKey
HEOQGBRLGAJSLZ-AATRIKPKSA-N
Compound name
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

234.1256 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 152.9
[M+Na]+ 257.11482 160.2
[M-H]- 233.11832 156.7
[M+NH4]+ 252.15942 171.2
[M+K]+ 273.08876 158.6
[M+H-H2O]+ 217.12286 146.8
[M+HCOO]- 279.12380 175.0
[M+CH3COO]- 293.13945 193.4
[M+Na-2H]- 255.10027 154.8
[M]+ 234.12505 157.0
[M]- 234.12615 157.0
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