CID 107377

2-ethylhexyl 4-hydroxybenzoate

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCCC(CC)COC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3
InChIKey
VTIMKVIDORQQFA-UHFFFAOYSA-N
Compound name
2-ethylhexyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3330
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 160.3
[M+Na]+ 273.14611 170.9
[M+NH4]+ 268.19071 167.0
[M+K]+ 289.12005 164.9
[M-H]- 249.14961 160.8
[M+Na-2H]- 271.13156 164.5
[M]+ 250.15634 161.8
[M]- 250.15744 161.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe