CID 3018495

74305-48-9

Structural Information

Molecular Formula
C23H30O2
SMILES
CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCCCC
InChI
InChI=1S/C23H30O2/c1-3-5-7-9-19-11-15-21(16-12-19)23(24)25-22-17-13-20(14-18-22)10-8-6-4-2/h11-18H,3-10H2,1-2H3
InChIKey
VWDNHTVWLXZZEK-UHFFFAOYSA-N
Compound name
(4-pentylphenyl) 4-pentylbenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

66
Patents

338.22458 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.23186 186.9
[M+Na]+ 361.21380 200.6
[M+NH4]+ 356.25840 194.6
[M+K]+ 377.18774 190.8
[M-H]- 337.21730 191.4
[M+Na-2H]- 359.19925 194.5
[M]+ 338.22403 190.3
[M]- 338.22513 190.3
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