CID 212990

Brn 2970281

Structural Information

Molecular Formula
C8H15ClN2O4
SMILES
CCC(COC(=O)N)(COC(=O)N)CCl
InChI
InChI=1S/C8H15ClN2O4/c1-2-8(3-9,4-14-6(10)12)5-15-7(11)13/h2-5H2,1H3,(H2,10,12)(H2,11,13)
InChIKey
YEQGIVORTJGIPB-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-2-(chloromethyl)butyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.07204 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07932 150.5
[M+Na]+ 261.06126 156.4
[M+NH4]+ 256.10586 155.0
[M+K]+ 277.03520 154.3
[M-H]- 237.06476 147.4
[M+Na-2H]- 259.04671 150.7
[M]+ 238.07149 150.0
[M]- 238.07259 150.0
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.