CID 132351124

3-(chloromethyl)-5-(diethoxymethyl)-1,2,4-oxadiazole

Structural Information

Molecular Formula
C8H13ClN2O3
SMILES
CCOC(C1=NC(=NO1)CCl)OCC
InChI
InChI=1S/C8H13ClN2O3/c1-3-12-8(13-4-2)7-10-6(5-9)11-14-7/h8H,3-5H2,1-2H3
InChIKey
OLNXTHHYEHDOSP-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-5-(diethoxymethyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06146 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.06874 144.8
[M+Na]+ 243.05068 153.7
[M-H]- 219.05418 146.2
[M+NH4]+ 238.09528 162.0
[M+K]+ 259.02462 153.1
[M+H-H2O]+ 203.05872 138.0
[M+HCOO]- 265.05966 161.8
[M+CH3COO]- 279.07531 185.5
[M+Na-2H]- 241.03613 149.5
[M]+ 220.06091 152.4
[M]- 220.06201 152.4
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.