CID 4830835

790263-69-3

Structural Information

Molecular Formula
C7H11N3OS
SMILES
C1CCN(C1)CC2=NNC(=S)O2
InChI
InChI=1S/C7H11N3OS/c12-7-9-8-6(11-7)5-10-3-1-2-4-10/h1-5H2,(H,9,12)
InChIKey
GLZYSXWJRVDFFL-UHFFFAOYSA-N
Compound name
5-(pyrrolidin-1-ylmethyl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

185.06229 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.069566 137.8
[M+Na]+ 208.051508 147.1
[M-H]- 184.055014 140.5
[M+NH4]+ 203.096113 156.0
[M+K]+ 224.025448 145.3
[M+H-H2O]+ 168.059550 131.1
[M+HCOO]- 230.060491 152.6
[M+CH3COO]- 244.076141 150.6
[M+Na-2H]- 206.036956 137.9
[M]+ 185.06174142 137.1
[M]- 185.06283858 137.1
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