CID 6437924

2-chloro-n-(3-phenyl-2-propylenyl)diethylamine hydrochloride

Structural Information

Molecular Formula
C13H18ClN
SMILES
CCN(CCCl)C/C=C/C1=CC=CC=C1
InChI
InChI=1S/C13H18ClN/c1-2-15(12-10-14)11-6-9-13-7-4-3-5-8-13/h3-9H,2,10-12H2,1H3/b9-6+
InChIKey
CHWGDIXIQTZINQ-RMKNXTFCSA-N
Compound name
(E)-N-(2-chloroethyl)-N-ethyl-3-phenylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.11278 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12006 152.5
[M+Na]+ 246.10200 158.6
[M-H]- 222.10550 156.5
[M+NH4]+ 241.14660 172.0
[M+K]+ 262.07594 154.3
[M+H-H2O]+ 206.11004 146.3
[M+HCOO]- 268.11098 172.8
[M+CH3COO]- 282.12663 194.1
[M+Na-2H]- 244.08745 157.5
[M]+ 223.11223 155.6
[M]- 223.11333 155.6
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.