CID 86769314

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

Structural Information

Molecular Formula
C8H13N3S
SMILES
CC1=NN=C(S1)N2CCCCC2
InChI
InChI=1S/C8H13N3S/c1-7-9-10-8(12-7)11-5-3-2-4-6-11/h2-6H2,1H3
InChIKey
IIDJDXATFNHHGO-UHFFFAOYSA-N
Compound name
2-methyl-5-piperidin-1-yl-1,3,4-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

183.08302 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.090296 138.6
[M+Na]+ 206.072238 146.5
[M-H]- 182.075744 141.2
[M+NH4]+ 201.116843 156.9
[M+K]+ 222.046178 144.0
[M+H-H2O]+ 166.080280 130.6
[M+HCOO]- 228.081221 152.6
[M+CH3COO]- 242.096871 150.7
[M+Na-2H]- 204.057686 139.8
[M]+ 183.08247142 136.5
[M]- 183.08356858 136.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe