CID 213087

2-allyl-2-methyl-1,3-propanediol dicarbamate

Structural Information

Molecular Formula
C9H16N2O4
SMILES
CC(CC=C)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C9H16N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3H,1,4-6H2,2H3,(H2,10,12)(H2,11,13)
InChIKey
JVAXHLUHJFLHDW-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-methylpent-4-enyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.11101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.11829 148.7
[M+Na]+ 239.10023 153.7
[M-H]- 215.10373 147.7
[M+NH4]+ 234.14483 165.9
[M+K]+ 255.07417 153.5
[M+H-H2O]+ 199.10827 143.0
[M+HCOO]- 261.10921 170.3
[M+CH3COO]- 275.12486 190.9
[M+Na-2H]- 237.08568 150.9
[M]+ 216.11046 149.0
[M]- 216.11156 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.