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 151.1
[M+Na]+ 261.06126 157.0
[M-H]- 237.06476 150.3
[M+NH4]+ 256.10586 168.5
[M+K]+ 277.03520 155.5
[M+H-H2O]+ 221.06930 146.7
[M+HCOO]- 283.07024 168.5
[M+CH3COO]- 297.08589 192.6
[M+Na-2H]- 259.04671 153.5
[M]+ 238.07149 153.8
[M]- 238.07259 153.8
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.