CID 117583

Brn 1598539

Structural Information

Molecular Formula
C17H30N2O6
SMILES
CCCC(C)(COC(=O)N1CCOCC1)COC(=O)N2CCOCC2
InChI
InChI=1S/C17H30N2O6/c1-3-4-17(2,13-24-15(20)18-5-9-22-10-6-18)14-25-16(21)19-7-11-23-12-8-19/h3-14H2,1-2H3
InChIKey
DORJTLCHLYFCTG-UHFFFAOYSA-N
Compound name
[2-methyl-2-(morpholine-4-carbonyloxymethyl)pentyl] morpholine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.2104 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21768 186.4
[M+Na]+ 381.19962 185.9
[M-H]- 357.20312 188.8
[M+NH4]+ 376.24422 192.5
[M+K]+ 397.17356 187.9
[M+H-H2O]+ 341.20766 176.8
[M+HCOO]- 403.20860 194.7
[M+CH3COO]- 417.22425 209.5
[M+Na-2H]- 379.18507 187.6
[M]+ 358.20985 185.4
[M]- 358.21095 185.4
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.