CID 121602555

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

Structural Information

Molecular Formula
C3H4ClN3O
SMILES
C(C1=NN=C(O1)N)Cl
InChI
InChI=1S/C3H4ClN3O/c4-1-2-6-7-3(5)8-2/h1H2,(H2,5,7)
InChIKey
QUVZLQURIITQSG-UHFFFAOYSA-N
Compound name
5-(chloromethyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

133.00429 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.01157 120.4
[M+Na]+ 155.99351 132.5
[M+NH4]+ 151.03811 128.4
[M+K]+ 171.96745 129.4
[M-H]- 131.99701 122.1
[M+Na-2H]- 153.97896 126.0
[M]+ 133.00374 122.6
[M]- 133.00484 122.6
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

patents stripe