CID 551220

Jiyrkvllocbjhr-uhfffaoysa-n

Structural Information

Molecular Formula
C16H30O4
SMILES
CC(C)COC(=O)C(C)(C)C(C(C)C)C(=O)OC(C)C
InChI
InChI=1S/C16H30O4/c1-10(2)9-19-15(18)16(7,8)13(11(3)4)14(17)20-12(5)6/h10-13H,9H2,1-8H3
InChIKey
JIYRKVLLOCBJHR-UHFFFAOYSA-N
Compound name
1-O-(2-methylpropyl) 4-O-propan-2-yl 2,2-dimethyl-3-propan-2-ylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

286.21442 Da
Monoisotopic Mass

4.3
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

No literature data available for this compound.

Patent stripe

patents stripe