CID 65209260

1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one

Structural Information

Molecular Formula
C8H11N3OS
SMILES
CC1=NN=C(S1)N2CCC(=O)CC2
InChI
InChI=1S/C8H11N3OS/c1-6-9-10-8(13-6)11-4-2-7(12)3-5-11/h2-5H2,1H3
InChIKey
BKVBQUYBMLXRLW-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.06229 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.06957 141.5
[M+Na]+ 220.05151 150.5
[M-H]- 196.05501 144.5
[M+NH4]+ 215.09611 159.4
[M+K]+ 236.02545 147.7
[M+H-H2O]+ 180.05955 133.8
[M+HCOO]- 242.06049 155.9
[M+CH3COO]- 256.07614 153.9
[M+Na-2H]- 218.03696 142.1
[M]+ 197.06174 140.5
[M]- 197.06284 140.5
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.