CID 5273615

2h-pyran-2-acetic acid, tetrahydro-6-(10-phenyldecyl)-, methyl ester

Structural Information

Molecular Formula
C24H38O3
SMILES
COC(=O)CC1CCCC(O1)CCCCCCCCCCC2=CC=CC=C2
InChI
InChI=1S/C24H38O3/c1-26-24(25)20-23-19-13-18-22(27-23)17-12-7-5-3-2-4-6-9-14-21-15-10-8-11-16-21/h8,10-11,15-16,22-23H,2-7,9,12-14,17-20H2,1H3
InChIKey
UYTVHKZGZWOESS-UHFFFAOYSA-N
Compound name
methyl 2-[6-(10-phenyldecyl)oxan-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.2821 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.28938 199.3
[M+Na]+ 397.27132 199.3
[M-H]- 373.27482 203.6
[M+NH4]+ 392.31592 209.4
[M+K]+ 413.24526 196.2
[M+H-H2O]+ 357.27936 189.8
[M+HCOO]- 419.28030 214.8
[M+CH3COO]- 433.29595 219.4
[M+Na-2H]- 395.25677 197.8
[M]+ 374.28155 201.4
[M]- 374.28265 201.4
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

No patent data available for this compound.