CID 199618

Dcy-3

Structural Information

Molecular Formula
C15H28N2O4
SMILES
CCCC(C)(C)CNC(=O)OOC(=O)NC1CCCCC1
InChI
InChI=1S/C15H28N2O4/c1-4-10-15(2,3)11-16-13(18)20-21-14(19)17-12-8-6-5-7-9-12/h12H,4-11H2,1-3H3,(H,16,18)(H,17,19)
InChIKey
FOOWHNPJGAMJDX-UHFFFAOYSA-N
Compound name
2,2-dimethylpentylcarbamoyl N-cyclohexylcarbamoperoxoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

300.2049 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21218 173.5
[M+Na]+ 323.19412 174.1
[M-H]- 299.19762 175.2
[M+NH4]+ 318.23872 187.7
[M+K]+ 339.16806 173.9
[M+H-H2O]+ 283.20216 166.4
[M+HCOO]- 345.20310 191.6
[M+CH3COO]- 359.21875 205.8
[M+Na-2H]- 321.17957 175.0
[M]+ 300.20435 172.0
[M]- 300.20545 172.0
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

patents stripe