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]+ 252.151346 159.9
[M+Na]+ 274.133288 164.0
[M-H]- 250.136794 166.3
[M+NH4]+ 269.177893 179.5
[M+K]+ 290.107228 160.0
[M+H-H2O]+ 234.141330 152.9
[M+HCOO]- 296.142271 176.5
[M+CH3COO]- 310.157921 197.7
[M+Na-2H]- 272.118736 164.2
[M]+ 251.14352142 157.8
[M]- 251.14461858 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.