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]+ 204.05344 141.2
[M+Na]+ 226.03538 149.2
[M-H]- 202.03888 144.2
[M+NH4]+ 221.07998 155.6
[M+K]+ 242.00932 148.6
[M+H-H2O]+ 186.04342 132.7
[M+HCOO]- 248.04436 153.8
[M+CH3COO]- 262.06001 153.3
[M+Na-2H]- 224.02083 146.7
[M]+ 203.04561 141.7
[M]- 203.04671 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.