CID 3023142

(4-methoxyphenyl)methyl laurate

Structural Information

Molecular Formula
C20H32O3
SMILES
CCCCCCCCCCCC(=O)OCC1=CC=C(C=C1)OC
InChI
InChI=1S/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-20(21)23-17-18-13-15-19(22-2)16-14-18/h13-16H,3-12,17H2,1-2H3
InChIKey
DRMAPFJISUWUEF-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)methyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

320.23514 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.242416 183.2
[M+Na]+ 343.224358 186.8
[M-H]- 319.227864 185.1
[M+NH4]+ 338.268963 197.7
[M+K]+ 359.198298 183.6
[M+H-H2O]+ 303.232400 175.2
[M+HCOO]- 365.233341 203.9
[M+CH3COO]- 379.248991 210.8
[M+Na-2H]- 341.209806 183.5
[M]+ 320.23459142 190.4
[M]- 320.23568858 190.4
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