CID 72218262

1393558-45-6

Structural Information

Molecular Formula
C7H10ClN3O2
SMILES
C1COCCN1C2=NC(=NO2)CCl
InChI
InChI=1S/C7H10ClN3O2/c8-5-6-9-7(13-10-6)11-1-3-12-4-2-11/h1-5H2
InChIKey
TZILMPCTOOMYSX-UHFFFAOYSA-N
Compound name
4-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.04616 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.053436 141.2
[M+Na]+ 226.035378 149.2
[M-H]- 202.038884 144.2
[M+NH4]+ 221.079983 155.6
[M+K]+ 242.009318 148.6
[M+H-H2O]+ 186.043420 132.7
[M+HCOO]- 248.044361 153.8
[M+CH3COO]- 262.060011 153.3
[M+Na-2H]- 224.020826 146.7
[M]+ 203.04561142 141.7
[M]- 203.04670858 141.7
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.