CID 63708360

3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole hydrochloride

Structural Information

Molecular Formula
C8H10F3N3O
SMILES
CC1=NOC(=N1)C2(CCNC2)C(F)(F)F
InChI
InChI=1S/C8H10F3N3O/c1-5-13-6(15-14-5)7(8(9,10)11)2-3-12-4-7/h12H,2-4H2,1H3
InChIKey
WPZLYGHBXCKPEE-UHFFFAOYSA-N
Compound name
3-methyl-5-[3-(trifluoromethyl)pyrrolidin-3-yl]-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07759 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.08487 141.3
[M+Na]+ 244.06681 150.2
[M-H]- 220.07031 139.9
[M+NH4]+ 239.11141 158.9
[M+K]+ 260.04075 148.6
[M+H-H2O]+ 204.07485 132.1
[M+HCOO]- 266.07579 155.5
[M+CH3COO]- 280.09144 181.2
[M+Na-2H]- 242.05226 145.0
[M]+ 221.07704 135.5
[M]- 221.07814 135.5
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.