CID 43481469

[1-(4-chlorophenyl)-2-ethylbutyl](methyl)amine

Structural Information

Molecular Formula
C13H20ClN
SMILES
CCC(CC)C(C1=CC=C(C=C1)Cl)NC
InChI
InChI=1S/C13H20ClN/c1-4-10(5-2)13(15-3)11-6-8-12(14)9-7-11/h6-10,13,15H,4-5H2,1-3H3
InChIKey
QMGXLQIXKCWDIA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-2-ethyl-N-methylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.12843 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.13571 153.4
[M+Na]+ 248.11765 159.5
[M-H]- 224.12115 156.5
[M+NH4]+ 243.16225 172.4
[M+K]+ 264.09159 155.4
[M+H-H2O]+ 208.12569 148.0
[M+HCOO]- 270.12663 171.1
[M+CH3COO]- 284.14228 194.9
[M+Na-2H]- 246.10310 156.0
[M]+ 225.12788 155.2
[M]- 225.12898 155.2
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.