CID 17569

Benzoic acid, 4-hydroxy-, dodecyl ester

Structural Information

Molecular Formula
C19H30O3
SMILES
CCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-19(21)17-12-14-18(20)15-13-17/h12-15,20H,2-11,16H2,1H3
InChIKey
BAYSQTBAJQRACX-UHFFFAOYSA-N
Compound name
dodecyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1134
Patents

306.21948 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.226756 179.0
[M+Na]+ 329.208698 182.5
[M-H]- 305.212204 179.6
[M+NH4]+ 324.253303 193.2
[M+K]+ 345.182638 178.7
[M+H-H2O]+ 289.216740 171.4
[M+HCOO]- 351.217681 198.5
[M+CH3COO]- 365.233331 205.2
[M+Na-2H]- 327.194146 179.3
[M]+ 306.21893142 183.9
[M]- 306.22002858 183.9
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