CID 57817723

16-(tert-butoxy)-16-oxohexadecanoic acid

Structural Information

Molecular Formula
C20H38O4
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C20H38O4/c1-20(2,3)24-19(23)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18(21)22/h4-17H2,1-3H3,(H,21,22)
InChIKey
HXJICNOLPKEOLU-UHFFFAOYSA-N
Compound name
16-[(2-methylpropan-2-yl)oxy]-16-oxohexadecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

404
Patents

342.277 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28428 189.8
[M+Na]+ 365.26622 195.2
[M+NH4]+ 360.31082 196.3
[M+K]+ 381.24016 190.2
[M-H]- 341.26972 185.7
[M+Na-2H]- 363.25167 187.9
[M]+ 342.27645 188.9
[M]- 342.27755 188.9
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