CID 173239

2-octyldodecyl acetate

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCCCCCCCC(CCCCCCCC)COC(=O)C
InChI
InChI=1S/C22H44O2/c1-4-6-8-10-12-13-15-17-19-22(20-24-21(3)23)18-16-14-11-9-7-5-2/h22H,4-20H2,1-3H3
InChIKey
WHCASFSSRGWZGS-UHFFFAOYSA-N
Compound name
2-octyldodecyl acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

340.33414 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.34142 194.3
[M+Na]+ 363.32336 201.0
[M+NH4]+ 358.36796 199.3
[M+K]+ 379.29730 192.9
[M-H]- 339.32686 192.6
[M+Na-2H]- 361.30881 193.5
[M]+ 340.33359 194.4
[M]- 340.33469 194.4
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