CID 117587

1,3-propanediol, 2,2-diethyl-, bis(diethylcarbamate)

Structural Information

Molecular Formula
C17H34N2O4
SMILES
CCC(CC)(COC(=O)N(CC)CC)COC(=O)N(CC)CC
InChI
InChI=1S/C17H34N2O4/c1-7-17(8-2,13-22-15(20)18(9-3)10-4)14-23-16(21)19(11-5)12-6/h7-14H2,1-6H3
InChIKey
SNUBBWAURMSPJZ-UHFFFAOYSA-N
Compound name
[2-(diethylcarbamoyloxymethyl)-2-ethylbutyl] N,N-diethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.25186 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.25914 186.1
[M+Na]+ 353.24108 188.1
[M-H]- 329.24458 187.8
[M+NH4]+ 348.28568 210.6
[M+K]+ 369.21502 190.2
[M+H-H2O]+ 313.24912 178.9
[M+HCOO]- 375.25006 207.3
[M+CH3COO]- 389.26571 222.4
[M+Na-2H]- 351.22653 185.1
[M]+ 330.25131 194.8
[M]- 330.25241 194.8
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.