CID 116831

70714-74-8

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 185.8
[M+Na]+ 377.17232 196.9
[M+NH4]+ 372.21692 191.6
[M+K]+ 393.14626 191.5
[M-H]- 353.17582 187.5
[M+Na-2H]- 375.15777 192.8
[M]+ 354.18255 187.9
[M]- 354.18365 187.9
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.