CID 57881

3,5-dipropyl-4-hydroxybenzoic acid ethyl ester

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCC1=CC(=CC(=C1O)CCC)C(=O)OCC
InChI
InChI=1S/C15H22O3/c1-4-7-11-9-13(15(17)18-6-3)10-12(8-5-2)14(11)16/h9-10,16H,4-8H2,1-3H3
InChIKey
ADTCUYSWDYZSIG-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-3,5-dipropylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

250.15689 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 159.5
[M+Na]+ 273.14611 171.2
[M+NH4]+ 268.19071 166.3
[M+K]+ 289.12005 164.9
[M-H]- 249.14961 160.4
[M+Na-2H]- 271.13156 163.7
[M]+ 250.15634 161.3
[M]- 250.15744 161.3
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

patents stripe