CID 23181

Carbamic acid, diethyl-, 3-oxetanylidenedimethylene ester

Structural Information

Molecular Formula
C15H28N2O5
SMILES
CCN(CC)C(=O)OCC1(COC1)COC(=O)N(CC)CC
InChI
InChI=1S/C15H28N2O5/c1-5-16(6-2)13(18)21-11-15(9-20-10-15)12-22-14(19)17(7-3)8-4/h5-12H2,1-4H3
InChIKey
MLSOBFSTZSNKDO-UHFFFAOYSA-N
Compound name
[3-(diethylcarbamoyloxymethyl)oxetan-3-yl]methyl N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.19983 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.20711 181.9
[M+Na]+ 339.18905 182.1
[M-H]- 315.19255 187.1
[M+NH4]+ 334.23365 190.6
[M+K]+ 355.16299 189.2
[M+H-H2O]+ 299.19709 169.2
[M+HCOO]- 361.19803 202.0
[M+CH3COO]- 375.21368 218.2
[M+Na-2H]- 337.17450 182.2
[M]+ 316.19928 197.5
[M]- 316.20038 197.5
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.