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 159.9
[M+Na]+ 274.13329 164.0
[M-H]- 250.13679 166.3
[M+NH4]+ 269.17789 179.5
[M+K]+ 290.10723 160.0
[M+H-H2O]+ 234.14133 152.9
[M+HCOO]- 296.14227 176.5
[M+CH3COO]- 310.15792 197.7
[M+Na-2H]- 272.11874 164.2
[M]+ 251.14352 157.8
[M]- 251.14462 157.8
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.