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
3
Annotation Hits

2
References

3538
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 160.8
[M+Na]+ 273.14611 165.9
[M-H]- 249.14961 162.4
[M+NH4]+ 268.19071 177.4
[M+K]+ 289.12005 163.6
[M+H-H2O]+ 233.15415 154.3
[M+HCOO]- 295.15509 180.8
[M+CH3COO]- 309.17074 194.1
[M+Na-2H]- 271.13156 162.1
[M]+ 250.15634 163.7
[M]- 250.15744 163.7
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