CID 212912

2-ethyl-2-methyl-1,3-propanediol allylcarbamate carbamate

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CCC(C)(COC(=O)N)COC(=O)NCC=C
InChI
InChI=1S/C11H20N2O4/c1-4-6-13-10(15)17-8-11(3,5-2)7-16-9(12)14/h4H,1,5-8H2,2-3H3,(H2,12,14)(H,13,15)
InChIKey
UTEMPGAYVGUMJT-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylbutyl] N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 157.7
[M+Na]+ 267.13152 162.0
[M-H]- 243.13502 156.9
[M+NH4]+ 262.17612 174.2
[M+K]+ 283.10546 161.6
[M+H-H2O]+ 227.13956 151.8
[M+HCOO]- 289.14050 179.3
[M+CH3COO]- 303.15615 196.9
[M+Na-2H]- 265.11697 160.0
[M]+ 244.14175 159.8
[M]- 244.14285 159.8
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.