CID 137323818

13-methoxyeicosanoic acid

Structural Information

Molecular Formula
C21H42O3
SMILES
CCCCCCCC(CCCCCCCCCCCC(=O)O)OC
InChI
InChI=1S/C21H42O3/c1-3-4-5-11-14-17-20(24-2)18-15-12-9-7-6-8-10-13-16-19-21(22)23/h20H,3-19H2,1-2H3,(H,22,23)
InChIKey
GMAQFMVWIUXVCU-UHFFFAOYSA-N
Compound name
13-methoxyicosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.3134 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.32068 196.3
[M+Na]+ 365.30262 196.6
[M-H]- 341.30612 192.4
[M+NH4]+ 360.34722 209.0
[M+K]+ 381.27656 193.3
[M+H-H2O]+ 325.31066 189.0
[M+HCOO]- 387.31160 212.5
[M+CH3COO]- 401.32725 216.0
[M+Na-2H]- 363.28807 192.3
[M]+ 342.31285 203.7
[M]- 342.31395 203.7
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.