CID 117466

1,3-propanediol, 2,2-diethyl-, allylcarbamate, carbamate

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

4
Patents

258.15796 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 162.3
[M+Na]+ 281.147178 166.1
[M-H]- 257.150684 161.3
[M+NH4]+ 276.191783 178.2
[M+K]+ 297.121118 165.5
[M+H-H2O]+ 241.155220 156.1
[M+HCOO]- 303.156161 183.5
[M+CH3COO]- 317.171811 199.9
[M+Na-2H]- 279.132626 164.1
[M]+ 258.15741142 164.7
[M]- 258.15850858 164.7
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

patents stripe