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 164.4
[M+Na]+ 340.08416 171.1
[M-H]- 316.08766 171.6
[M+NH4]+ 335.12876 175.3
[M+K]+ 356.05810 170.7
[M+H-H2O]+ 300.09220 154.4
[M+HCOO]- 362.09314 177.1
[M+CH3COO]- 376.10879 212.0
[M+Na-2H]- 338.06961 168.5
[M]+ 317.09439 180.0
[M]- 317.09549 180.0
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.