CID 203956

Phenethylamine, n-(2-chloroethyl)-n-ethyl-, hydrochloride

Structural Information

Molecular Formula
C12H18ClN
SMILES
CCN(CCC1=CC=CC=C1)CCCl
InChI
InChI=1S/C12H18ClN/c1-2-14(11-9-13)10-8-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3
InChIKey
SSSMBKDIOZKAPA-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.11278 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.120056 148.8
[M+Na]+ 234.101998 155.0
[M-H]- 210.105504 152.9
[M+NH4]+ 229.146603 168.7
[M+K]+ 250.075938 151.5
[M+H-H2O]+ 194.110040 142.7
[M+HCOO]- 256.110981 169.2
[M+CH3COO]- 270.126631 192.6
[M+Na-2H]- 232.087446 154.3
[M]+ 211.11223142 152.3
[M]- 211.11332858 152.3
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

patents stripe