CID 213070

2-isopropyl-1,3-propanediol dicarbamate

Structural Information

Molecular Formula
C8H16N2O4
SMILES
CC(C)C(COC(=O)N)COC(=O)N
InChI
InChI=1S/C8H16N2O4/c1-5(2)6(3-13-7(9)11)4-14-8(10)12/h5-6H,3-4H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKey
FXZJJTBBLLGDRH-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-3-methylbutyl] carbamate
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 146.6
[M+Na]+ 227.10023 151.3
[M+NH4]+ 222.14483 150.8
[M+K]+ 243.07417 150.4
[M-H]- 203.10373 143.6
[M+Na-2H]- 225.08568 145.9
[M]+ 204.11046 145.6
[M]- 204.11156 145.6
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.