CID 6437924

2-propylenamine, n-(2-chloroethyl)-n-ethyl-3-phenyl-, 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]+ 224.120056 152.5
[M+Na]+ 246.101998 158.6
[M-H]- 222.105504 156.5
[M+NH4]+ 241.146603 172.0
[M+K]+ 262.075938 154.3
[M+H-H2O]+ 206.110040 146.3
[M+HCOO]- 268.110981 172.8
[M+CH3COO]- 282.126631 194.1
[M+Na-2H]- 244.087446 157.5
[M]+ 223.11223142 155.6
[M]- 223.11332858 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.