CID 115923

Propylamine, n-(2-chloroethyl)-n-ethyl-3-phenoxy-, hydrochloride

Structural Information

Molecular Formula
C13H20ClNO
SMILES
CCN(CCCOC1=CC=CC=C1)CCCl
InChI
InChI=1S/C13H20ClNO/c1-2-15(11-9-14)10-6-12-16-13-7-4-3-5-8-13/h3-5,7-8H,2,6,9-12H2,1H3
InChIKey
NXQFKWCJDAOIRW-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-3-phenoxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.12334 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.130616 156.5
[M+Na]+ 264.112558 162.2
[M-H]- 240.116064 160.4
[M+NH4]+ 259.157163 175.2
[M+K]+ 280.086498 159.0
[M+H-H2O]+ 224.120600 150.0
[M+HCOO]- 286.121541 176.9
[M+CH3COO]- 300.137191 197.5
[M+Na-2H]- 262.098006 161.5
[M]+ 241.12279142 161.8
[M]- 241.12388858 161.8
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.