CID 5282607

23-methyltetracosanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

143
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

literature stripe

Patent stripe

patents stripe