CID 21915732

18-methyl-tetracosanoic acid

Structural Information

Molecular Formula
C25H50O2
SMILES
CCCCCCC(C)CCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C25H50O2/c1-3-4-5-18-21-24(2)22-19-16-14-12-10-8-6-7-9-11-13-15-17-20-23-25(26)27/h24H,3-23H2,1-2H3,(H,26,27)
InChIKey
XCCJSPJWXADLBU-UHFFFAOYSA-N
Compound name
18-methyltetracosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

382.38107 Da
Monoisotopic Mass

11.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.38835 211.2
[M+Na]+ 405.37029 209.8
[M-H]- 381.37379 206.5
[M+NH4]+ 400.41489 222.3
[M+K]+ 421.34423 205.0
[M+H-H2O]+ 365.37833 203.4
[M+HCOO]- 427.37927 225.8
[M+CH3COO]- 441.39492 225.9
[M+Na-2H]- 403.35574 205.0
[M]+ 382.38052 218.6
[M]- 382.38162 218.6
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