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 155.2
[M+Na]+ 262.09692 159.8
[M-H]- 238.10042 161.3
[M+NH4]+ 257.14152 171.6
[M+K]+ 278.07086 156.7
[M+H-H2O]+ 222.10496 148.5
[M+HCOO]- 284.10590 170.3
[M+CH3COO]- 298.12155 192.6
[M+Na-2H]- 260.08237 159.4
[M]+ 239.10715 152.9
[M]- 239.10825 152.9
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.