CID 3063994

Cyclohexylamine, n-(2-chloroethyl)-n-methyl-1-phenyl-

Structural Information

Molecular Formula
C15H22ClN
SMILES
CN(CCCl)C1(CCCCC1)C2=CC=CC=C2
InChI
InChI=1S/C15H22ClN/c1-17(13-12-16)15(10-6-3-7-11-15)14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3
InChIKey
XXIRYLJIXKVSMA-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-methyl-1-phenylcyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14407 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15135 160.0
[M+Na]+ 274.13329 172.9
[M+NH4]+ 269.17789 171.8
[M+K]+ 290.10723 161.8
[M-H]- 250.13679 166.1
[M+Na-2H]- 272.11874 170.2
[M]+ 251.14352 164.1
[M]- 251.14462 164.1
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.