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]+ 265.143446 160.8
[M+Na]+ 287.125388 167.8
[M-H]- 263.128894 164.2
[M+NH4]+ 282.169993 177.8
[M+K]+ 303.099328 165.9
[M+H-H2O]+ 247.133430 154.0
[M+HCOO]- 309.134371 183.7
[M+CH3COO]- 323.150021 197.6
[M+Na-2H]- 285.110836 163.3
[M]+ 264.13562142 167.3
[M]- 264.13671858 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.