CID 9796142

131266-10-9

Structural Information

Molecular Formula
C16H22O5
SMILES
CC(=O)OCC(CCOCC1=CC=CC=C1)COC(=O)C
InChI
InChI=1S/C16H22O5/c1-13(17)20-11-16(12-21-14(2)18)8-9-19-10-15-6-4-3-5-7-15/h3-7,16H,8-12H2,1-2H3
InChIKey
BLAYUKYLAGRIMQ-UHFFFAOYSA-N
Compound name
[2-(acetyloxymethyl)-4-phenylmethoxybutyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

294.14673 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.15401 169.1
[M+Na]+ 317.13595 178.4
[M+NH4]+ 312.18055 174.4
[M+K]+ 333.10989 173.6
[M-H]- 293.13945 168.5
[M+Na-2H]- 315.12140 172.5
[M]+ 294.14618 169.9
[M]- 294.14728 169.9
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