CID 43517009

Methyl 4-[2-methoxy-4-(prop-1-en-1-yl)phenoxy]butanoate

Structural Information

Molecular Formula
C15H20O4
SMILES
C/C=C/C1=CC(=C(C=C1)OCCCC(=O)OC)OC
InChI
InChI=1S/C15H20O4/c1-4-6-12-8-9-13(14(11-12)17-2)19-10-5-7-15(16)18-3/h4,6,8-9,11H,5,7,10H2,1-3H3/b6-4+
InChIKey
JPDDQZRQKQNLCW-GQCTYLIASA-N
Compound name
methyl 4-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.13617 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.14345 160.8
[M+Na]+ 287.12539 167.8
[M-H]- 263.12889 164.2
[M+NH4]+ 282.16999 177.8
[M+K]+ 303.09933 165.9
[M+H-H2O]+ 247.13343 154.0
[M+HCOO]- 309.13437 183.7
[M+CH3COO]- 323.15002 197.6
[M+Na-2H]- 285.11084 163.3
[M]+ 264.13562 167.3
[M]- 264.13672 167.3
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

No patent data available for this compound.