CID 14056365

Pseudoisoeugenol 2-methylbutanoate

Structural Information

Molecular Formula
C15H20O3
SMILES
CCC(C)C(=O)OC1=C(C=C(C=C1)OC)/C=C/C
InChI
InChI=1S/C15H20O3/c1-5-7-12-10-13(17-4)8-9-14(12)18-15(16)11(3)6-2/h5,7-11H,6H2,1-4H3/b7-5+
InChIKey
YARRWVYKHJNVHX-FNORWQNLSA-N
Compound name
[4-methoxy-2-[(E)-prop-1-enyl]phenyl] 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

248.14125 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 157.7
[M+Na]+ 271.13047 164.6
[M-H]- 247.13397 161.2
[M+NH4]+ 266.17507 175.4
[M+K]+ 287.10441 162.6
[M+H-H2O]+ 231.13851 151.4
[M+HCOO]- 293.13945 179.4
[M+CH3COO]- 307.15510 196.4
[M+Na-2H]- 269.11592 158.9
[M]+ 248.14070 162.1
[M]- 248.14180 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.