CID 121602624

2-(chloromethyl)-5-(pyrrolidin-1-yl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C7H10ClN3O
SMILES
C1CCN(C1)C2=NN=C(O2)CCl
InChI
InChI=1S/C7H10ClN3O/c8-5-6-9-10-7(12-6)11-3-1-2-4-11/h1-5H2
InChIKey
PWZCVLSVWUKKGM-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-pyrrolidin-1-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.05124 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.058516 138.2
[M+Na]+ 210.040458 146.9
[M-H]- 186.043964 141.0
[M+NH4]+ 205.085063 156.5
[M+K]+ 226.014398 145.4
[M+H-H2O]+ 170.048500 129.9
[M+HCOO]- 232.049441 153.8
[M+CH3COO]- 246.065091 151.0
[M+Na-2H]- 208.025906 141.4
[M]+ 187.05069142 138.8
[M]- 187.05178858 138.8
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.