CID 5312323

3,15-dimethyl-docosanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

368.36542 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.372696 207.4
[M+Na]+ 391.354638 206.4
[M-H]- 367.358144 203.1
[M+NH4]+ 386.399243 219.1
[M+K]+ 407.328578 202.3
[M+H-H2O]+ 351.362680 200.0
[M+HCOO]- 413.363621 221.4
[M+CH3COO]- 427.379271 223.7
[M+Na-2H]- 389.340086 200.6
[M]+ 368.36487142 213.9
[M]- 368.36596858 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