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

248
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

literature stripe

Patent stripe

patents stripe