CID 45339

2-isopropylphenoxyethyl ethyl-beta-chloroethylamine hydrochloride

Structural Information

Molecular Formula
C15H24ClNO
SMILES
CCN(CCOC1=CC=CC=C1C(C)C)CCCl
InChI
InChI=1S/C15H24ClNO/c1-4-17(10-9-16)11-12-18-15-8-6-5-7-14(15)13(2)3/h5-8,13H,4,9-12H2,1-3H3
InChIKey
MVECEWOCGSNYNI-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-(2-propan-2-ylphenoxy)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.15463 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.16191 165.6
[M+Na]+ 292.14385 171.2
[M-H]- 268.14735 169.7
[M+NH4]+ 287.18845 183.5
[M+K]+ 308.11779 168.1
[M+H-H2O]+ 252.15189 159.2
[M+HCOO]- 314.15283 184.4
[M+CH3COO]- 328.16848 205.5
[M+Na-2H]- 290.12930 167.6
[M]+ 269.15408 171.5
[M]- 269.15518 171.5
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.