CID 14056365

Trans-pseudoisoeugenyl 2-methylbutyrate

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]+ 249.148526 157.7
[M+Na]+ 271.130468 164.6
[M-H]- 247.133974 161.2
[M+NH4]+ 266.175073 175.4
[M+K]+ 287.104408 162.6
[M+H-H2O]+ 231.138510 151.4
[M+HCOO]- 293.139451 179.4
[M+CH3COO]- 307.155101 196.4
[M+Na-2H]- 269.115916 158.9
[M]+ 248.14070142 162.1
[M]- 248.14179858 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.