CID 5282604

20-methyldocosanoic acid

Structural Information

Molecular Formula
C23H46O2
SMILES
CCC(C)CCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C23H46O2/c1-3-22(2)20-18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21-23(24)25/h22H,3-21H2,1-2H3,(H,24,25)
InChIKey
MZRXKFZYUOFQRH-UHFFFAOYSA-N
Compound name
20-methyldocosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

191
Patents

354.3498 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.35708 202.4
[M+Na]+ 377.33902 201.9
[M-H]- 353.34252 198.1
[M+NH4]+ 372.38362 214.7
[M+K]+ 393.31296 197.6
[M+H-H2O]+ 337.34706 195.0
[M+HCOO]- 399.34800 217.7
[M+CH3COO]- 413.36365 220.0
[M+Na-2H]- 375.32447 197.3
[M]+ 354.34925 209.1
[M]- 354.35035 209.1
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.