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

6
Patents

340.33414 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.341416 198.5
[M+Na]+ 363.323358 198.3
[M-H]- 339.326864 194.6
[M+NH4]+ 358.367963 211.4
[M+K]+ 379.297298 194.7
[M+H-H2O]+ 323.331400 191.5
[M+HCOO]- 385.332341 213.2
[M+CH3COO]- 399.347991 217.9
[M+Na-2H]- 361.308806 192.7
[M]+ 340.33359142 204.2
[M]- 340.33468858 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