CID 117189

2-ethyl-1,3-propanediol carbamate methylcarbamate

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CCC(COC(=O)N)COC(=O)NC
InChI
InChI=1S/C8H16N2O4/c1-3-6(4-13-7(9)11)5-14-8(12)10-2/h6H,3-5H2,1-2H3,(H2,9,11)(H,10,12)
InChIKey
QGOXHXFKOTUXNE-UHFFFAOYSA-N
Compound name
2-(carbamoyloxymethyl)butyl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.11101 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.11829 146.5
[M+Na]+ 227.10023 151.9
[M+NH4]+ 222.14483 151.0
[M+K]+ 243.07417 149.9
[M-H]- 203.10373 144.0
[M+Na-2H]- 225.08568 146.7
[M]+ 204.11046 145.8
[M]- 204.11156 145.8
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.