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 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

No literature data available for this compound.

Patent stripe

patents stripe