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

251
Patents

314.2457 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.252976 183.6
[M+Na]+ 337.234918 186.1
[M-H]- 313.238424 180.8
[M+NH4]+ 332.279523 197.7
[M+K]+ 353.208858 184.0
[M+H-H2O]+ 297.242960 177.7
[M+HCOO]- 359.243901 199.8
[M+CH3COO]- 373.259551 207.3
[M+Na-2H]- 335.220366 182.3
[M]+ 314.24515142 190.1
[M]- 314.24624858 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