CID 129774385

8,10-dimethoxy-octadecanoic acid

Structural Information

Molecular Formula
C20H40O4
SMILES
CCCCCCCCC(CC(CCCCCCC(=O)O)OC)OC
InChI
InChI=1S/C20H40O4/c1-4-5-6-7-8-11-14-18(23-2)17-19(24-3)15-12-9-10-13-16-20(21)22/h18-19H,4-17H2,1-3H3,(H,21,22)
InChIKey
RGPGJWBMNOHCDK-UHFFFAOYSA-N
Compound name
8,10-dimethoxyoctadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

344.29266 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29994 195.0
[M+Na]+ 367.28188 195.5
[M-H]- 343.28538 191.3
[M+NH4]+ 362.32648 207.5
[M+K]+ 383.25582 193.5
[M+H-H2O]+ 327.28992 187.8
[M+HCOO]- 389.29086 210.8
[M+CH3COO]- 403.30651 215.8
[M+Na-2H]- 365.26733 190.4
[M]+ 344.29211 202.8
[M]- 344.29321 202.8
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

No patent data available for this compound.