CID 57819

100347-78-2

Structural Information

Molecular Formula
C17H24O3
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)OC
InChI
InChI=1S/C17H24O3/c1-5-8-13-11-15(17(18)19-4)12-14(9-6-2)16(13)20-10-7-3/h7,11-12H,3,5-6,8-10H2,1-2,4H3
InChIKey
YAFZWNCGWWHTGS-UHFFFAOYSA-N
Compound name
methyl 4-prop-2-enoxy-3,5-dipropylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

276.17255 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.179826 165.9
[M+Na]+ 299.161768 173.0
[M-H]- 275.165274 169.3
[M+NH4]+ 294.206373 182.8
[M+K]+ 315.135708 170.1
[M+H-H2O]+ 259.169810 159.3
[M+HCOO]- 321.170751 187.9
[M+CH3COO]- 335.186401 203.4
[M+Na-2H]- 297.147216 166.6
[M]+ 276.17200142 172.2
[M]- 276.17309858 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

patents stripe