CID 18183002

79053-92-2

Structural Information

Molecular Formula
C13H26O4
SMILES
CCCC1(OOC(CCC(OO1)(C)C)(C)C)C
InChI
InChI=1S/C13H26O4/c1-7-8-13(6)16-14-11(2,3)9-10-12(4,5)15-17-13/h7-10H2,1-6H3
InChIKey
VOUZDAIELOXBAJ-UHFFFAOYSA-N
Compound name
3,6,6,9,9-pentamethyl-3-propyl-1,2,4,5-tetraoxonane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

246.1831 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19038 202.2
[M+Na]+ 269.17232 205.5
[M-H]- 245.17582 202.8
[M+NH4]+ 264.21692 202.9
[M+K]+ 285.14626 202.9
[M+H-H2O]+ 229.18036 194.9
[M+HCOO]- 291.18130 203.4
[M+CH3COO]- 305.19695 203.8
[M+Na-2H]- 267.15777 204.3
[M]+ 246.18255 203.0
[M]- 246.18365 203.0
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