CID 6428969

60958-23-8

Structural Information

Molecular Formula
C15H20O3
SMILES
C/C=C/C1=CC(=C(C=C1)OC(=O)CC(C)C)OC
InChI
InChI=1S/C15H20O3/c1-5-6-12-7-8-13(14(10-12)17-4)18-15(16)9-11(2)3/h5-8,10-11H,9H2,1-4H3/b6-5+
InChIKey
JNVPTYXMIALTSY-AATRIKPKSA-N
Compound name
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

248.14125 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 158.5
[M+Na]+ 271.13047 170.1
[M+NH4]+ 266.17507 165.3
[M+K]+ 287.10441 164.0
[M-H]- 247.13397 159.4
[M+Na-2H]- 269.11592 163.0
[M]+ 248.14070 160.2
[M]- 248.14180 160.2
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