CID 117264

25642-81-3

Structural Information

Molecular Formula
C13H24N2O5
SMILES
CCCC(C)(COC(=O)N)COC(=O)N1CCOCC1
InChI
InChI=1S/C13H24N2O5/c1-3-4-13(2,9-19-11(14)16)10-20-12(17)15-5-7-18-8-6-15/h3-10H2,1-2H3,(H2,14,16)
InChIKey
CUBBLXVBSIQEFT-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpentyl] morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.16852 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17580 168.6
[M+Na]+ 311.15774 170.8
[M-H]- 287.16124 169.4
[M+NH4]+ 306.20234 180.5
[M+K]+ 327.13168 171.9
[M+H-H2O]+ 271.16578 161.1
[M+HCOO]- 333.16672 183.7
[M+CH3COO]- 347.18237 200.3
[M+Na-2H]- 309.14319 170.8
[M]+ 288.16797 168.9
[M]- 288.16907 168.9
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.