CID 808966

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

Structural Information

Molecular Formula
C7H10ClN3S
SMILES
C1CCN(CC1)C2=NSN=C2Cl
InChI
InChI=1S/C7H10ClN3S/c8-6-7(10-12-9-6)11-4-2-1-3-5-11/h1-5H2
InChIKey
UCQNXWQHJHOKRH-UHFFFAOYSA-N
Compound name
3-chloro-4-piperidin-1-yl-1,2,5-thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

203.0284 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.03568 140.4
[M+Na]+ 226.01762 149.2
[M-H]- 202.02112 142.9
[M+NH4]+ 221.06222 158.6
[M+K]+ 241.99156 145.5
[M+H-H2O]+ 186.02566 132.8
[M+HCOO]- 248.02660 149.9
[M+CH3COO]- 262.04225 152.4
[M+Na-2H]- 224.00307 141.5
[M]+ 203.02785 139.5
[M]- 203.02895 139.5
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

patents stripe