CID 4161169

(2-(3,4-dichlorophenyl)-2-hydroxyethyl)-dimethylisopropylammonium iodide

Structural Information

Molecular Formula
C13H20Cl2NO
SMILES
CC(C)[N+](C)(C)CC(C1=CC(=C(C=C1)Cl)Cl)O
InChI
InChI=1S/C13H20Cl2NO/c1-9(2)16(3,4)8-13(17)10-5-6-11(14)12(15)7-10/h5-7,9,13,17H,8H2,1-4H3/q+1
InChIKey
PPELRIPURGTPQP-UHFFFAOYSA-N
Compound name
[2-(3,4-dichlorophenyl)-2-hydroxyethyl]-dimethyl-propan-2-ylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.0922 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.09948 158.4
[M+Na]+ 299.08142 165.7
[M-H]- 275.08492 161.4
[M+NH4]+ 294.12602 175.9
[M+K]+ 315.05536 155.7
[M+H-H2O]+ 259.08946 157.4
[M+HCOO]- 321.09040 169.3
[M+CH3COO]- 335.10605 196.0
[M+Na-2H]- 297.06687 162.7
[M]+ 276.09165 160.9
[M]- 276.09275 160.9
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.