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]+ 188.05852 138.2
[M+Na]+ 210.04046 146.9
[M-H]- 186.04396 141.0
[M+NH4]+ 205.08506 156.5
[M+K]+ 226.01440 145.4
[M+H-H2O]+ 170.04850 129.9
[M+HCOO]- 232.04944 153.8
[M+CH3COO]- 246.06509 151.0
[M+Na-2H]- 208.02591 141.4
[M]+ 187.05069 138.8
[M]- 187.05179 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.