CID 117466

Brn 3053655

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CCC(CC)(COC(=O)N)COC(=O)NCC=C
InChI
InChI=1S/C12H22N2O4/c1-4-7-14-11(16)18-9-12(5-2,6-3)8-17-10(13)15/h4H,1,5-9H2,2-3H3,(H2,13,15)(H,14,16)
InChIKey
DWDXRBSFDKWBHA-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-ethylbutyl] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.16524 161.9
[M+Na]+ 281.14718 166.6
[M+NH4]+ 276.19178 165.5
[M+K]+ 297.12112 164.1
[M-H]- 257.15068 158.6
[M+Na-2H]- 279.13263 161.3
[M]+ 258.15741 160.9
[M]- 258.15851 160.9
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.