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]+ 242.13062 156.5
[M+Na]+ 264.11256 162.2
[M-H]- 240.11606 160.4
[M+NH4]+ 259.15716 175.2
[M+K]+ 280.08650 159.0
[M+H-H2O]+ 224.12060 150.0
[M+HCOO]- 286.12154 176.9
[M+CH3COO]- 300.13719 197.5
[M+Na-2H]- 262.09801 161.5
[M]+ 241.12279 161.8
[M]- 241.12389 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.