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]+ 248.060346 152.5
[M+Na]+ 270.042288 160.9
[M-H]- 246.045794 155.4
[M+NH4]+ 265.086893 171.3
[M+K]+ 286.016228 155.9
[M+H-H2O]+ 230.050330 148.1
[M+HCOO]- 292.051271 167.0
[M+CH3COO]- 306.066921 195.7
[M+Na-2H]- 268.027736 155.9
[M]+ 247.05252142 157.0
[M]- 247.05361858 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.