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]+ 240.114976 155.2
[M+Na]+ 262.096918 159.8
[M-H]- 238.100424 161.3
[M+NH4]+ 257.141523 171.6
[M+K]+ 278.070858 156.7
[M+H-H2O]+ 222.104960 148.5
[M+HCOO]- 284.105901 170.3
[M+CH3COO]- 298.121551 192.6
[M+Na-2H]- 260.082366 159.4
[M]+ 239.10715142 152.9
[M]- 239.10824858 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.