CID 134812101

14,19-dimethyleicosanoic acid

Structural Information

Molecular Formula
C22H44O2
SMILES
CC(C)CCCCC(C)CCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C22H44O2/c1-20(2)16-14-15-18-21(3)17-12-10-8-6-4-5-7-9-11-13-19-22(23)24/h20-21H,4-19H2,1-3H3,(H,23,24)
InChIKey
VJKLVILAZFDWDJ-UHFFFAOYSA-N
Compound name
14,19-dimethylicosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

340.33414 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.34142 198.5
[M+Na]+ 363.32336 198.3
[M-H]- 339.32686 194.6
[M+NH4]+ 358.36796 211.4
[M+K]+ 379.29730 194.7
[M+H-H2O]+ 323.33140 191.5
[M+HCOO]- 385.33234 213.2
[M+CH3COO]- 399.34799 217.9
[M+Na-2H]- 361.30881 192.7
[M]+ 340.33359 204.2
[M]- 340.33469 204.2
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