CID 203448

Propylamine, 2-(2,6-dichlorophenoxy)-n,n,2-trimethyl-, hydrochloride

Structural Information

Molecular Formula
C12H17Cl2NO
SMILES
CC(C)(CN(C)C)OC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C12H17Cl2NO/c1-12(2,8-15(3)4)16-11-9(13)6-5-7-10(11)14/h5-7H,8H2,1-4H3
InChIKey
XPIVKCXIQPZDGB-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenoxy)-N,N,2-trimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.06873 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.07601 156.9
[M+Na]+ 284.05795 165.8
[M-H]- 260.06145 161.5
[M+NH4]+ 279.10255 176.0
[M+K]+ 300.03189 161.8
[M+H-H2O]+ 244.06599 152.5
[M+HCOO]- 306.06693 171.0
[M+CH3COO]- 320.08258 201.6
[M+Na-2H]- 282.04340 161.0
[M]+ 261.06818 163.2
[M]- 261.06928 163.2
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.