CID 106956356

1-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]piperidine

Structural Information

Molecular Formula
C8H12ClN3O
SMILES
C1CCN(CC1)C2=NN=C(O2)CCl
InChI
InChI=1S/C8H12ClN3O/c9-6-7-10-11-8(13-7)12-4-2-1-3-5-12/h1-6H2
InChIKey
NVSLDTPJZGEVGR-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-5-piperidin-1-yl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0669 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.07418 142.4
[M+Na]+ 224.05612 149.9
[M-H]- 200.05962 144.6
[M+NH4]+ 219.10072 158.3
[M+K]+ 240.03006 147.7
[M+H-H2O]+ 184.06416 133.5
[M+HCOO]- 246.06510 155.5
[M+CH3COO]- 260.08075 154.1
[M+Na-2H]- 222.04157 146.9
[M]+ 201.06635 141.3
[M]- 201.06745 141.3
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.