CID 3048670

Triethylamine, 2-chloro-2'-phenoxy-, hydrochloride

Structural Information

Molecular Formula
C12H18ClNO
SMILES
CCN(CCOC1=CC=CC=C1)CCCl
InChI
InChI=1S/C12H18ClNO/c1-2-14(9-8-13)10-11-15-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKey
APOPRQNXRAFTOJ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-phenoxyethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.1077 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.11498 151.8
[M+Na]+ 250.09692 158.0
[M-H]- 226.10042 155.9
[M+NH4]+ 245.14152 171.1
[M+K]+ 266.07086 155.0
[M+H-H2O]+ 210.10496 145.6
[M+HCOO]- 272.10590 172.5
[M+CH3COO]- 286.12155 194.6
[M+Na-2H]- 248.08237 157.3
[M]+ 227.10715 156.7
[M]- 227.10825 156.7
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.