CID 44144717

O-tetradecyl oo-isopropyl peroxycarbonate

Structural Information

Molecular Formula
C18H36O4
SMILES
CCCCCCCCCCCCCCOC(=O)OOC(C)C
InChI
InChI=1S/C18H36O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-18(19)22-21-17(2)3/h17H,4-16H2,1-3H3
InChIKey
NJJUXHVBEOWMJF-UHFFFAOYSA-N
Compound name
propan-2-yloxy tetradecyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.26135 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.268626 185.6
[M+Na]+ 339.250568 187.7
[M-H]- 315.254074 183.8
[M+NH4]+ 334.295173 200.2
[M+K]+ 355.224508 186.6
[M+H-H2O]+ 299.258610 178.5
[M+HCOO]- 361.259551 204.6
[M+CH3COO]- 375.275201 210.3
[M+Na-2H]- 337.236016 183.8
[M]+ 316.26080142 195.1
[M]- 316.26189858 195.1
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.