CID 15063682

3-(chloromethyl)-1,2,4-oxadiazol-5-amine

Structural Information

Molecular Formula
C3H4ClN3O
SMILES
C(C1=NOC(=N1)N)Cl
InChI
InChI=1S/C3H4ClN3O/c4-1-2-6-3(5)8-7-2/h1H2,(H2,5,6,7)
InChIKey
KKTPVUDJOZIMQJ-UHFFFAOYSA-N
Compound name
3-(chloromethyl)-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

133.00429 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.01157 121.5
[M+Na]+ 155.99351 132.0
[M-H]- 131.99701 122.9
[M+NH4]+ 151.03811 141.6
[M+K]+ 171.96745 130.6
[M+H-H2O]+ 116.00155 115.2
[M+HCOO]- 178.00249 140.9
[M+CH3COO]- 192.01814 169.7
[M+Na-2H]- 153.97896 129.1
[M]+ 133.00374 123.1
[M]- 133.00484 123.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.