CID 42375

2-(3,4-dichlorophenyl)-1,1-dimethylethyl 2-aminopropanoate hydrobromide

Structural Information

Molecular Formula
C13H17Cl2NO2
SMILES
CC(C)(C)OC(=O)C(C)(C1=CC(=C(C=C1)Cl)Cl)N
InChI
InChI=1S/C13H17Cl2NO2/c1-12(2,3)18-11(17)13(4,16)8-5-6-9(14)10(15)7-8/h5-7H,16H2,1-4H3
InChIKey
HTRJJDZLIXRTEI-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-2-(3,4-dichlorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.06363 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07091 163.5
[M+Na]+ 312.05285 172.3
[M-H]- 288.05635 166.6
[M+NH4]+ 307.09745 180.6
[M+K]+ 328.02679 167.4
[M+H-H2O]+ 272.06089 159.9
[M+HCOO]- 334.06183 174.1
[M+CH3COO]- 348.07748 201.6
[M+Na-2H]- 310.03830 166.7
[M]+ 289.06308 167.4
[M]- 289.06418 167.4
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.