CID 3076578

3,4-dichloro-alpha-((2-(dimethylamino)ethoxy)methyl)benzenemethanol hydrochloride

Structural Information

Molecular Formula
C12H17Cl2NO2
SMILES
CN(C)CCOCC(C1=CC(=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C12H17Cl2NO2/c1-15(2)5-6-17-8-12(16)9-3-4-10(13)11(14)7-9/h3-4,7,12,16H,5-6,8H2,1-2H3
InChIKey
ZELMOXGKQFHSGO-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-2-[2-(dimethylamino)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.06363 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07091 159.3
[M+Na]+ 300.05285 167.0
[M-H]- 276.05635 162.2
[M+NH4]+ 295.09745 176.8
[M+K]+ 316.02679 162.8
[M+H-H2O]+ 260.06089 154.7
[M+HCOO]- 322.06183 172.8
[M+CH3COO]- 336.07748 201.4
[M+Na-2H]- 298.03830 161.1
[M]+ 277.06308 165.1
[M]- 277.06418 165.1
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.