CID 481677

2-(4-hydroxyphenyl)ethyl tetracosanoate

Structural Information

Molecular Formula
C32H56O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCC1=CC=C(C=C1)O
InChI
InChI=1S/C32H56O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-32(34)35-29-28-30-24-26-31(33)27-25-30/h24-27,33H,2-23,28-29H2,1H3
InChIKey
CQXMAMUUWHYSIY-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)ethyl tetracosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26928
Patents

488.42294 Da
Monoisotopic Mass

13.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 489.43022 236.2
[M+Na]+ 511.41216 234.0
[M-H]- 487.41566 234.1
[M+NH4]+ 506.45676 242.8
[M+K]+ 527.38610 227.1
[M+H-H2O]+ 471.42020 226.0
[M+HCOO]- 533.42114 251.2
[M+CH3COO]- 547.43679 243.3
[M+Na-2H]- 509.39761 229.6
[M]+ 488.42239 245.7
[M]- 488.42349 245.7
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