CID 62484165

[2-(3,4-dichlorophenoxy)butyl](methyl)amine

Structural Information

Molecular Formula
C11H15Cl2NO
SMILES
CCC(CNC)OC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C11H15Cl2NO/c1-3-8(7-14-2)15-9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKey
COARTXZNHUMTTK-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenoxy)-N-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.05307 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.06035 152.5
[M+Na]+ 270.04229 160.9
[M-H]- 246.04579 155.4
[M+NH4]+ 265.08689 171.3
[M+K]+ 286.01623 155.9
[M+H-H2O]+ 230.05033 148.1
[M+HCOO]- 292.05127 167.0
[M+CH3COO]- 306.06692 195.7
[M+Na-2H]- 268.02774 155.9
[M]+ 247.05252 157.0
[M]- 247.05362 157.0
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.