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
2
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]+ 355.190376 186.5
[M+Na]+ 377.172318 190.4
[M-H]- 353.175824 192.3
[M+NH4]+ 372.216923 198.8
[M+K]+ 393.146258 188.0
[M+H-H2O]+ 337.180360 178.6
[M+HCOO]- 399.181301 204.3
[M+CH3COO]- 413.196951 212.8
[M+Na-2H]- 375.157766 190.0
[M]+ 354.18255142 190.3
[M]- 354.18364858 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.