CID 116831

Einecs 274-803-1

Structural Information

Molecular Formula
C22H26O4
SMILES
CC(C)(CC1=CC=CC=C1)OC(=O)C(=O)OC(C)(C)CC2=CC=CC=C2
InChI
InChI=1S/C22H26O4/c1-21(2,15-17-11-7-5-8-12-17)25-19(23)20(24)26-22(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3
InChIKey
JNQGUZHCDNTTRD-UHFFFAOYSA-N
Compound name
bis(2-methyl-1-phenylpropan-2-yl) oxalate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1831 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19038 186.5
[M+Na]+ 377.17232 190.4
[M-H]- 353.17582 192.3
[M+NH4]+ 372.21692 198.8
[M+K]+ 393.14626 188.0
[M+H-H2O]+ 337.18036 178.6
[M+HCOO]- 399.18130 204.3
[M+CH3COO]- 413.19695 212.8
[M+Na-2H]- 375.15777 190.0
[M]+ 354.18255 190.3
[M]- 354.18365 190.3
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

No patent data available for this compound.