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]+ 279.195476 167.6
[M+Na]+ 301.177418 174.4
[M-H]- 277.180924 170.9
[M+NH4]+ 296.222023 184.5
[M+K]+ 317.151358 172.1
[M+H-H2O]+ 261.185460 160.9
[M+HCOO]- 323.186401 189.4
[M+CH3COO]- 337.202051 204.2
[M+Na-2H]- 299.162866 168.3
[M]+ 278.18765142 174.6
[M]- 278.18874858 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.