CID 57879

Ethyl 4-ethoxy-3,5-dipropylbenzoate

Structural Information

Molecular Formula
C17H26O3
SMILES
CCCC1=CC(=CC(=C1OCC)CCC)C(=O)OCC
InChI
InChI=1S/C17H26O3/c1-5-9-13-11-15(17(18)20-8-4)12-14(10-6-2)16(13)19-7-3/h11-12H,5-10H2,1-4H3
InChIKey
BXARXLWSBTVJNV-UHFFFAOYSA-N
Compound name
ethyl 4-ethoxy-3,5-dipropylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1882 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19548 167.6
[M+Na]+ 301.17742 174.4
[M-H]- 277.18092 170.9
[M+NH4]+ 296.22202 184.5
[M+K]+ 317.15136 172.1
[M+H-H2O]+ 261.18546 160.9
[M+HCOO]- 323.18640 189.4
[M+CH3COO]- 337.20205 204.2
[M+Na-2H]- 299.16287 168.3
[M]+ 278.18765 174.6
[M]- 278.18875 174.6
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.