CID 84964

Bis(4-tert-butylcyclohexyl) peroxydicarbonate

Structural Information

Molecular Formula
C22H38O6
SMILES
CC(C)(C)C1CCC(CC1)OC(=O)OOC(=O)OC2CCC(CC2)C(C)(C)C
InChI
InChI=1S/C22H38O6/c1-21(2,3)15-7-11-17(12-8-15)25-19(23)27-28-20(24)26-18-13-9-16(10-14-18)22(4,5)6/h15-18H,7-14H2,1-6H3
InChIKey
NOBYOEQUFMGXBP-UHFFFAOYSA-N
Compound name
(4-tert-butylcyclohexyl) (4-tert-butylcyclohexyl)oxycarbonyloxy carbonate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

27370
Patents

398.26685 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.27413 196.5
[M+Na]+ 421.25607 196.3
[M-H]- 397.25957 200.7
[M+NH4]+ 416.30067 207.5
[M+K]+ 437.23001 196.8
[M+H-H2O]+ 381.26411 189.8
[M+HCOO]- 443.26505 206.2
[M+CH3COO]- 457.28070 219.4
[M+Na-2H]- 419.24152 194.2
[M]+ 398.26630 195.5
[M]- 398.26740 195.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe