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]+ 260.060346 156.3
[M+Na]+ 282.042288 163.9
[M-H]- 258.045794 162.0
[M+NH4]+ 277.086893 174.5
[M+K]+ 298.016228 159.2
[M+H-H2O]+ 242.050330 151.3
[M+HCOO]- 304.051271 167.1
[M+CH3COO]- 318.066921 167.8
[M+Na-2H]- 280.027736 160.8
[M]+ 259.05252142 155.2
[M]- 259.05361858 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