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 167.1
[M+Na]+ 323.07690 173.0
[M-H]- 299.08040 169.6
[M+NH4]+ 318.12150 181.9
[M+K]+ 339.05084 170.0
[M+H-H2O]+ 283.08494 161.3
[M+HCOO]- 345.08588 184.4
[M+CH3COO]- 359.10153 204.4
[M+Na-2H]- 321.06235 169.1
[M]+ 300.08713 169.9
[M]- 300.08823 169.9
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.