CID 19949

Hc 6017

Structural Information

Molecular Formula
C14H20Cl2NO2
SMILES
C[N+](C)(C)CC1(COC1)COC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C14H20Cl2NO2/c1-17(2,3)7-14(8-18-9-14)10-19-13-5-4-11(15)6-12(13)16/h4-6H,7-10H2,1-3H3/q+1
InChIKey
IPUREWFYRPYOEP-UHFFFAOYSA-N
Compound name
[3-[(2,4-dichlorophenoxy)methyl]oxetan-3-yl]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0871 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.09438 156.7
[M+Na]+ 327.07632 163.9
[M-H]- 303.07982 164.3
[M+NH4]+ 322.12092 168.1
[M+K]+ 343.05026 158.5
[M+H-H2O]+ 287.08436 150.1
[M+HCOO]- 349.08530 168.6
[M+CH3COO]- 363.10095 202.5
[M+Na-2H]- 325.06177 165.6
[M]+ 304.08655 170.3
[M]- 304.08765 170.3
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.