CID 84964

15520-11-3

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

24775
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.