CID 3039000

1-propylamine, 3-chloro-n-methyl-n-(2-(2,6-xylyloxy)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C14H22ClNO
SMILES
CC1=C(C(=CC=C1)C)OCCN(C)CCCCl
InChI
InChI=1S/C14H22ClNO/c1-12-6-4-7-13(2)14(12)17-11-10-16(3)9-5-8-15/h4,6-7H,5,8-11H2,1-3H3
InChIKey
WKBVPIXOGOQVRY-UHFFFAOYSA-N
Compound name
3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-N-methylpropan-1-amine
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]+ 256.146266 160.3
[M+Na]+ 278.128208 167.5
[M-H]- 254.131714 164.9
[M+NH4]+ 273.172813 179.1
[M+K]+ 294.102148 164.2
[M+H-H2O]+ 238.136250 154.2
[M+HCOO]- 300.137191 180.4
[M+CH3COO]- 314.152841 202.8
[M+Na-2H]- 276.113656 163.4
[M]+ 255.13844142 166.8
[M]- 255.13953858 166.8
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.