CID 23585

Methyl 2-allyloxy-3,5-dipropylbenzoate

Structural Information

Molecular Formula
C17H24O3
SMILES
CCCC1=CC(=C(C(=C1)C(=O)OC)OCC=C)CCC
InChI
InChI=1S/C17H24O3/c1-5-8-13-11-14(9-6-2)16(20-10-7-3)15(12-13)17(18)19-4/h7,11-12H,3,5-6,8-10H2,1-2,4H3
InChIKey
WXPMMBRGRMMZIO-UHFFFAOYSA-N
Compound name
methyl 2-prop-2-enoxy-3,5-dipropylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.17255 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17983 165.9
[M+Na]+ 299.16177 173.0
[M-H]- 275.16527 169.3
[M+NH4]+ 294.20637 182.8
[M+K]+ 315.13571 170.1
[M+H-H2O]+ 259.16981 159.3
[M+HCOO]- 321.17075 187.9
[M+CH3COO]- 335.18640 203.4
[M+Na-2H]- 297.14722 166.6
[M]+ 276.17200 172.2
[M]- 276.17310 172.2
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

No patent data available for this compound.