CID 6420705

959275-48-0

Structural Information

Molecular Formula
C15H28O4
SMILES
CCCCCCCCCOC(=O)C(=O)OCC(C)C
InChI
InChI=1S/C15H28O4/c1-4-5-6-7-8-9-10-11-18-14(16)15(17)19-12-13(2)3/h13H,4-12H2,1-3H3
InChIKey
FFFMBVYSYMUSKR-UHFFFAOYSA-N
Compound name
2-O-(2-methylpropyl) 1-O-nonyl oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

272.19876 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.20604 168.6
[M+Na]+ 295.18798 175.6
[M+NH4]+ 290.23258 173.3
[M+K]+ 311.16192 170.9
[M-H]- 271.19148 165.6
[M+Na-2H]- 293.17343 168.2
[M]+ 272.19821 168.2
[M]- 272.19931 168.2
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