CID 6623853

891028-86-7

Structural Information

Molecular Formula
C7H11N3OS
SMILES
C1CCN(CC1)C2=NSNC2=O
InChI
InChI=1S/C7H11N3OS/c11-7-6(8-12-9-7)10-4-2-1-3-5-10/h1-5H2,(H,9,11)
InChIKey
AAVJZQHWXNHZLD-UHFFFAOYSA-N
Compound name
4-piperidin-1-yl-1,2,5-thiadiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

185.06229 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.069566 137.8
[M+Na]+ 208.051508 145.9
[M-H]- 184.055014 139.2
[M+NH4]+ 203.096113 155.2
[M+K]+ 224.025448 142.5
[M+H-H2O]+ 168.059550 130.3
[M+HCOO]- 230.060491 151.1
[M+CH3COO]- 244.076141 149.6
[M+Na-2H]- 206.036956 139.2
[M]+ 185.06174142 134.2
[M]- 185.06283858 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

literature stripe

Patent stripe

patents stripe