CID 200465

Niosh/ty4420200

Structural Information

Molecular Formula
C13H17ClN2O4
SMILES
CC(CC1=CC=C(C=C1)Cl)(COC(=O)N)COC(=O)N
InChI
InChI=1S/C13H17ClN2O4/c1-13(7-19-11(15)17,8-20-12(16)18)6-9-2-4-10(14)5-3-9/h2-5H,6-8H2,1H3,(H2,15,17)(H2,16,18)
InChIKey
VZNMZFGEGUYCIW-UHFFFAOYSA-N
Compound name
[2-(carbamoyloxymethyl)-3-(4-chlorophenyl)-2-methylpropyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.08768 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.09496 166.6
[M+Na]+ 323.07690 174.9
[M+NH4]+ 318.12150 171.7
[M+K]+ 339.05084 171.4
[M-H]- 299.08040 166.3
[M+Na-2H]- 321.06235 169.7
[M]+ 300.08713 167.5
[M]- 300.08823 167.5
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.