CID 16205338

79922-11-5

Structural Information

Molecular Formula
C33H56O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCCC1(CCC2=C(O1)C(=C(C(=C2C)O)C)C)C
InChI
InChI=1S/C33H56O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(34)36-25-24-33(5)23-22-29-28(4)31(35)26(2)27(3)32(29)37-33/h35H,6-25H2,1-5H3
InChIKey
HVIHEUQNVXCQBT-UHFFFAOYSA-N
Compound name
2-(6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl)ethyl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

516.41785 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.42513 239.7
[M+Na]+ 539.40707 240.8
[M-H]- 515.41057 240.2
[M+NH4]+ 534.45167 247.7
[M+K]+ 555.38101 236.0
[M+H-H2O]+ 499.41511 231.1
[M+HCOO]- 561.41605 250.2
[M+CH3COO]- 575.43170 251.2
[M+Na-2H]- 537.39252 233.6
[M]+ 516.41730 249.2
[M]- 516.41840 249.2
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