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

22
Patents

272.19876 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.206036 170.5
[M+Na]+ 295.187978 174.2
[M-H]- 271.191484 169.5
[M+NH4]+ 290.232583 187.0
[M+K]+ 311.161918 173.7
[M+H-H2O]+ 255.196020 164.3
[M+HCOO]- 317.196961 189.9
[M+CH3COO]- 331.212611 200.8
[M+Na-2H]- 293.173426 169.2
[M]+ 272.19821142 177.6
[M]- 272.19930858 177.6
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