CID 22218872

2-hexyldecyl p-hydroxybenzoate

Structural Information

Molecular Formula
C23H38O3
SMILES
CCCCCCCCC(CCCCCC)COC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C23H38O3/c1-3-5-7-9-10-12-14-20(13-11-8-6-4-2)19-26-23(25)21-15-17-22(24)18-16-21/h15-18,20,24H,3-14,19H2,1-2H3
InChIKey
AWTUIOQHXHBRDW-UHFFFAOYSA-N
Compound name
2-hexyldecyl 4-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

256
Patents

362.2821 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.28938 197.6
[M+Na]+ 385.27132 199.1
[M-H]- 361.27482 197.5
[M+NH4]+ 380.31592 209.4
[M+K]+ 401.24526 194.9
[M+H-H2O]+ 345.27936 189.4
[M+HCOO]- 407.28030 214.7
[M+CH3COO]- 421.29595 217.9
[M+Na-2H]- 383.25677 194.5
[M]+ 362.28155 203.3
[M]- 362.28265 203.3
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