CID 75176271

14-(tert-butoxy)-14-oxotetradecanoic acid

Structural Information

Molecular Formula
C18H34O4
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C18H34O4/c1-18(2,3)22-17(21)15-13-11-9-7-5-4-6-8-10-12-14-16(19)20/h4-15H2,1-3H3,(H,19,20)
InChIKey
MNMGREKTJAQGNV-UHFFFAOYSA-N
Compound name
14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

313
Patents

314.2457 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.25298 183.6
[M+Na]+ 337.23492 186.1
[M-H]- 313.23842 180.8
[M+NH4]+ 332.27952 197.7
[M+K]+ 353.20886 184.0
[M+H-H2O]+ 297.24296 177.7
[M+HCOO]- 359.24390 199.8
[M+CH3COO]- 373.25955 207.3
[M+Na-2H]- 335.22037 182.3
[M]+ 314.24515 190.1
[M]- 314.24625 190.1
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