CID 5312321

2,4-dimethyl-docosanoic acid

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCCCCCCCCCCCC(C)CC(C)C(=O)O
InChI
InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)21-23(3)24(25)26/h22-23H,4-21H2,1-3H3,(H,25,26)
InChIKey
QYNTVLCDAYKUMH-UHFFFAOYSA-N
Compound name
2,4-dimethyldocosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

368.36542 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37270 207.4
[M+Na]+ 391.35464 206.4
[M-H]- 367.35814 203.1
[M+NH4]+ 386.39924 219.1
[M+K]+ 407.32858 202.3
[M+H-H2O]+ 351.36268 200.0
[M+HCOO]- 413.36362 221.4
[M+CH3COO]- 427.37927 223.7
[M+Na-2H]- 389.34009 200.6
[M]+ 368.36487 213.9
[M]- 368.36597 213.9
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