CID 24274050

[4-(2,4-dichlorophenyl)oxan-4-yl]methanamine

Structural Information

Molecular Formula
C12H15Cl2NO
SMILES
C1COCCC1(CN)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H15Cl2NO/c13-9-1-2-10(11(14)7-9)12(8-15)3-5-16-6-4-12/h1-2,7H,3-6,8,15H2
InChIKey
OTLXOVICQVYJJA-UHFFFAOYSA-N
Compound name
[4-(2,4-dichlorophenyl)oxan-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

259.05307 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.06035 154.8
[M+Na]+ 282.04229 168.9
[M+NH4]+ 277.08689 165.9
[M+K]+ 298.01623 158.9
[M-H]- 258.04579 161.1
[M+Na-2H]- 280.02774 163.6
[M]+ 259.05252 159.4
[M]- 259.05362 159.4
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

patents stripe