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]+ 375.289376 199.3
[M+Na]+ 397.271318 199.3
[M-H]- 373.274824 203.6
[M+NH4]+ 392.315923 209.4
[M+K]+ 413.245258 196.2
[M+H-H2O]+ 357.279360 189.8
[M+HCOO]- 419.280301 214.8
[M+CH3COO]- 433.295951 219.4
[M+Na-2H]- 395.256766 197.8
[M]+ 374.28155142 201.4
[M]- 374.28264858 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.