CID 120915

H.c. 6018

Structural Information

Molecular Formula
C15H21Cl2NO2
SMILES
CCN(CC)CC1(COC1)COC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H21Cl2NO2/c1-3-18(4-2)8-15(9-19-10-15)11-20-14-6-5-12(16)7-13(14)17/h5-7H,3-4,8-11H2,1-2H3
InChIKey
LLYIEQJZJHKGDY-UHFFFAOYSA-N
Compound name
N-[[3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl]-N-ethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.09494 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.10222 165.1
[M+Na]+ 340.08416 174.3
[M+NH4]+ 335.12876 171.3
[M+K]+ 356.05810 166.8
[M-H]- 316.08766 167.8
[M+Na-2H]- 338.06961 170.9
[M]+ 317.09439 166.9
[M]- 317.09549 166.9
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.