CID 22972178

1046079-55-3

Structural Information

Molecular Formula
C3H5N3OS
SMILES
C(C1=NNC(=S)O1)N
InChI
InChI=1S/C3H5N3OS/c4-1-2-5-6-3(8)7-2/h1,4H2,(H,6,8)
InChIKey
KFLLGVCMGISNML-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-3H-1,3,4-oxadiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

131.01534 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02262 121.6
[M+Na]+ 154.00456 132.0
[M-H]- 130.00806 122.4
[M+NH4]+ 149.04916 141.1
[M+K]+ 169.97850 130.0
[M+H-H2O]+ 114.01260 115.6
[M+HCOO]- 176.01354 139.4
[M+CH3COO]- 190.02919 166.4
[M+Na-2H]- 151.99001 125.7
[M]+ 131.01479 121.2
[M]- 131.01589 121.2
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