CID 204694

Wv 0016

Structural Information

Molecular Formula
C15H24ClNO
SMILES
CC1=CC(=C(C=C1)C(C)C)OCCN(C)CCCl
InChI
InChI=1S/C15H24ClNO/c1-12(2)14-6-5-13(3)11-15(14)18-10-9-17(4)8-7-16/h5-6,11-12H,7-10H2,1-4H3
InChIKey
XIDJJGHGWRVLIE-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.15463 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16191 165.0
[M+Na]+ 292.14385 171.5
[M-H]- 268.14735 169.5
[M+NH4]+ 287.18845 183.2
[M+K]+ 308.11779 168.4
[M+H-H2O]+ 252.15189 158.9
[M+HCOO]- 314.15283 183.7
[M+CH3COO]- 328.16848 206.6
[M+Na-2H]- 290.12930 166.3
[M]+ 269.15408 171.2
[M]- 269.15518 171.2
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.