CID 21118874

69777-64-6

Structural Information

Molecular Formula
C23H30O2
SMILES
CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C[C@@H](C)CC
InChI
InChI=1S/C23H30O2/c1-4-6-7-8-19-9-13-21(14-10-19)23(24)25-22-15-11-20(12-16-22)17-18(3)5-2/h9-16,18H,4-8,17H2,1-3H3/t18-/m0/s1
InChIKey
YCZTXNHTLUKHQL-SFHVURJKSA-N
Compound name
[4-[(2S)-2-methylbutyl]phenyl] 4-pentylbenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

338.22458 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.23186 186.6
[M+Na]+ 361.21380 199.9
[M+NH4]+ 356.25840 194.1
[M+K]+ 377.18774 190.9
[M-H]- 337.21730 190.9
[M+Na-2H]- 359.19925 193.8
[M]+ 338.22403 189.8
[M]- 338.22513 189.8
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