CID 17569

Dodecyl 4-hydroxybenzoate

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
2
Annotation Hits

1
References

797
Patents

306.21948 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22676 178.3
[M+Na]+ 329.20870 188.3
[M+NH4]+ 324.25330 184.4
[M+K]+ 345.18264 180.6
[M-H]- 305.21220 178.8
[M+Na-2H]- 327.19415 181.7
[M]+ 306.21893 179.7
[M]- 306.22003 179.7
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