CID 5064578

Methyl 3-(dodecyloxy)benzoate

Structural Information

Molecular Formula
C20H32O3
SMILES
CCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)OC
InChI
InChI=1S/C20H32O3/c1-3-4-5-6-7-8-9-10-11-12-16-23-19-15-13-14-18(17-19)20(21)22-2/h13-15,17H,3-12,16H2,1-2H3
InChIKey
JOYQSMXBQJIRSC-UHFFFAOYSA-N
Compound name
methyl 3-dodecoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.23514 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 182.1
[M+Na]+ 343.22436 192.6
[M+NH4]+ 338.26896 188.4
[M+K]+ 359.19830 184.3
[M-H]- 319.22786 183.2
[M+Na-2H]- 341.20981 186.0
[M]+ 320.23459 183.8
[M]- 320.23569 183.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.