CID 4558729

2-dimethylaminoethyl n-(3,4-dichlorophenyl)carbamate

Structural Information

Molecular Formula
C11H14Cl2N2O2
SMILES
CN(C)CCOC(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H14Cl2N2O2/c1-15(2)5-6-17-11(16)14-8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3,(H,14,16)
InChIKey
RDQTZDVYXYUELL-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl N-(3,4-dichlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.04324 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.05052 159.4
[M+Na]+ 299.03246 167.5
[M-H]- 275.03596 163.9
[M+NH4]+ 294.07706 177.3
[M+K]+ 315.00640 163.8
[M+H-H2O]+ 259.04050 154.4
[M+HCOO]- 321.04144 175.9
[M+CH3COO]- 335.05709 203.8
[M+Na-2H]- 297.01791 162.4
[M]+ 276.04269 165.2
[M]- 276.04379 165.2
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.