CID 66858998

4-(benzyloxy)phenethyl decanoate

Structural Information

Molecular Formula
C25H34O3
SMILES
CCCCCCCCCC(=O)OCCC1=CC=C(C=C1)OCC2=CC=CC=C2
InChI
InChI=1S/C25H34O3/c1-2-3-4-5-6-7-11-14-25(26)27-20-19-22-15-17-24(18-16-22)28-21-23-12-9-8-10-13-23/h8-10,12-13,15-18H,2-7,11,14,19-21H2,1H3
InChIKey
MKSNYWIILLZWOY-UHFFFAOYSA-N
Compound name
2-(4-phenylmethoxyphenyl)ethyl decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

382.2508 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.25808 199.4
[M+Na]+ 405.24002 211.7
[M+NH4]+ 400.28462 206.1
[M+K]+ 421.21396 201.8
[M-H]- 381.24352 203.2
[M+Na-2H]- 403.22547 206.1
[M]+ 382.25025 202.2
[M]- 382.25135 202.2
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