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 156.3
[M+Na]+ 282.04229 163.9
[M-H]- 258.04579 162.0
[M+NH4]+ 277.08689 174.5
[M+K]+ 298.01623 159.2
[M+H-H2O]+ 242.05033 151.3
[M+HCOO]- 304.05127 167.1
[M+CH3COO]- 318.06692 167.8
[M+Na-2H]- 280.02774 160.8
[M]+ 259.05252 155.1
[M]- 259.05362 155.2
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