CID 63015391

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

Structural Information

Molecular Formula
C8H11F2N3O
SMILES
C1CNCCC1C2=NOC(=N2)C(F)F
InChI
InChI=1S/C8H11F2N3O/c9-6(10)8-12-7(13-14-8)5-1-3-11-4-2-5/h5-6,11H,1-4H2
InChIKey
YYEJDMWHQUYEHX-UHFFFAOYSA-N
Compound name
5-(difluoromethyl)-3-piperidin-4-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

203.08702 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09430 141.5
[M+Na]+ 226.07624 147.9
[M-H]- 202.07974 140.2
[M+NH4]+ 221.12084 155.7
[M+K]+ 242.05018 146.0
[M+H-H2O]+ 186.08428 131.1
[M+HCOO]- 248.08522 155.0
[M+CH3COO]- 262.10087 151.9
[M+Na-2H]- 224.06169 144.0
[M]+ 203.08647 134.2
[M]- 203.08757 134.2
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