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 170.5
[M+Na]+ 295.18798 174.2
[M-H]- 271.19148 169.5
[M+NH4]+ 290.23258 187.0
[M+K]+ 311.16192 173.7
[M+H-H2O]+ 255.19602 164.3
[M+HCOO]- 317.19696 189.9
[M+CH3COO]- 331.21261 200.8
[M+Na-2H]- 293.17343 169.2
[M]+ 272.19821 177.6
[M]- 272.19931 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