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

8
Patents

250.15689 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.164166 159.0
[M+Na]+ 273.146108 166.2
[M-H]- 249.149614 161.3
[M+NH4]+ 268.190713 176.3
[M+K]+ 289.120048 163.5
[M+H-H2O]+ 233.154150 152.9
[M+HCOO]- 295.155091 179.9
[M+CH3COO]- 309.170741 195.7
[M+Na-2H]- 271.131556 160.2
[M]+ 250.15634142 163.3
[M]- 250.15743858 163.3
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