CID 23284

6846-50-0

Structural Information

Molecular Formula
C16H30O4
SMILES
CC(C)C(C(C)(C)COC(=O)C(C)C)OC(=O)C(C)C
InChI
InChI=1S/C16H30O4/c1-10(2)13(20-15(18)12(5)6)16(7,8)9-19-14(17)11(3)4/h10-13H,9H2,1-8H3
InChIKey
OMVSWZDEEGIJJI-UHFFFAOYSA-N
Compound name
[2,2,4-trimethyl-3-(2-methylpropanoyloxy)pentyl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

16
References

5900
Patents

286.21442 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.221696 170.2
[M+Na]+ 309.203638 173.3
[M-H]- 285.207144 169.7
[M+NH4]+ 304.248243 186.1
[M+K]+ 325.177578 174.8
[M+H-H2O]+ 269.211680 165.4
[M+HCOO]- 331.212621 184.9
[M+CH3COO]- 345.228271 207.5
[M+Na-2H]- 307.189086 166.2
[M]+ 286.21387142 175.5
[M]- 286.21496858 175.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe