CID 48354

N-(2-chloroethyl)-n-ethyl-alpha-methylbenzylamine hydrochloride

Structural Information

Molecular Formula
C12H18ClN
SMILES
CCN(CCCl)C(C)C1=CC=CC=C1
InChI
InChI=1S/C12H18ClN/c1-3-14(10-9-13)11(2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3
InChIKey
WUFZRKNRSXDJHE-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-ethyl-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

211.11278 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.12006 148.1
[M+Na]+ 234.10200 160.9
[M+NH4]+ 229.14660 157.8
[M+K]+ 250.07594 152.9
[M-H]- 210.10550 151.8
[M+Na-2H]- 232.08745 155.8
[M]+ 211.11223 151.3
[M]- 211.11333 151.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.