CID 199328

H.c. 6021

Structural Information

Molecular Formula
C17H24Cl2NO2
SMILES
C[N+]1(CCCCC1)CC2(COC2)COC3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H24Cl2NO2/c1-20(7-3-2-4-8-20)10-17(11-21-12-17)13-22-16-6-5-14(18)9-15(16)19/h5-6,9H,2-4,7-8,10-13H2,1H3/q+1
InChIKey
WTCYZLLVOBQDCM-UHFFFAOYSA-N
Compound name
1-[[3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl]-1-methylpiperidin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.1184 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.12568 165.9
[M+Na]+ 367.10762 171.3
[M-H]- 343.11112 172.6
[M+NH4]+ 362.15222 175.2
[M+K]+ 383.08156 164.6
[M+H-H2O]+ 327.11566 157.2
[M+HCOO]- 389.11660 172.0
[M+CH3COO]- 403.13225 202.8
[M+Na-2H]- 365.09307 172.0
[M]+ 344.11785 174.2
[M]- 344.11895 174.2
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

No patent data available for this compound.