CID 62907401

[(4-chlorophenyl)(oxan-4-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C13H18ClNO
SMILES
CNC(C1CCOCC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H18ClNO/c1-15-13(11-6-8-16-9-7-11)10-2-4-12(14)5-3-10/h2-5,11,13,15H,6-9H2,1H3
InChIKey
ZSLBNRHUYLKZEI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-methyl-1-(oxan-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.11498 154.5
[M+Na]+ 262.09692 167.4
[M+NH4]+ 257.14152 164.1
[M+K]+ 278.07086 159.7
[M-H]- 238.10042 161.0
[M+Na-2H]- 260.08237 162.0
[M]+ 239.10715 158.5
[M]- 239.10825 158.5
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.