CID 140753626

Hexadecyl 2,2-dimethylbutanoate

Structural Information

Molecular Formula
C22H44O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(C)(C)CC
InChI
InChI=1S/C22H44O2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21(23)22(3,4)6-2/h5-20H2,1-4H3
InChIKey
JROXTPKNWZCTHG-UHFFFAOYSA-N
Compound name
hexadecyl 2,2-dimethylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.33414 Da
Monoisotopic Mass

9.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.341416 197.0
[M+Na]+ 363.323358 198.3
[M-H]- 339.326864 194.8
[M+NH4]+ 358.367963 211.0
[M+K]+ 379.297298 195.1
[M+H-H2O]+ 323.331400 190.3
[M+HCOO]- 385.332341 213.7
[M+CH3COO]- 399.347991 218.7
[M+Na-2H]- 361.308806 195.1
[M]+ 340.33359142 205.5
[M]- 340.33468858 205.5
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

No patent data available for this compound.