CID 5282605

22-methyltricosanoic acid

Structural Information

Molecular Formula
C24H48O2
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H48O2/c1-23(2)21-19-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20-22-24(25)26/h23H,3-22H2,1-2H3,(H,25,26)
InChIKey
KGHVQLDYCDULEN-UHFFFAOYSA-N
Compound name
22-methyltricosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

179
Patents

368.36542 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37270 206.8
[M+Na]+ 391.35464 205.9
[M-H]- 367.35814 202.3
[M+NH4]+ 386.39924 218.5
[M+K]+ 407.32858 201.3
[M+H-H2O]+ 351.36268 199.2
[M+HCOO]- 413.36362 221.7
[M+CH3COO]- 427.37927 223.0
[M+Na-2H]- 389.34009 201.2
[M]+ 368.36487 213.8
[M]- 368.36597 213.8
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.