CID 45357

N-(2-chloroethyl)-n-(3,4-xylyloxyethyl)ethylamine hydrochloride

Structural Information

Molecular Formula
C14H22ClNO
SMILES
CCN(CCOC1=CC(=C(C=C1)C)C)CCCl
InChI
InChI=1S/C14H22ClNO/c1-4-16(8-7-15)9-10-17-14-6-5-12(2)13(3)11-14/h5-6,11H,4,7-10H2,1-3H3
InChIKey
NLDQTISQRWFQDX-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-2-(3,4-dimethylphenoxy)-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.13899 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14627 159.1
[M+Na]+ 278.12821 172.2
[M+NH4]+ 273.17281 168.0
[M+K]+ 294.10215 163.8
[M-H]- 254.13171 162.5
[M+Na-2H]- 276.11366 165.7
[M]+ 255.13844 162.3
[M]- 255.13954 162.3
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.