CID 117264

Brn 1583407

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]+ 289.175796 168.6
[M+Na]+ 311.157738 170.8
[M-H]- 287.161244 169.4
[M+NH4]+ 306.202343 180.5
[M+K]+ 327.131678 171.9
[M+H-H2O]+ 271.165780 161.1
[M+HCOO]- 333.166721 183.7
[M+CH3COO]- 347.182371 200.3
[M+Na-2H]- 309.143186 170.8
[M]+ 288.16797142 168.9
[M]- 288.16906858 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.