CID 351611

5-amino-2,3-dihydro-1,3,4-thiadiazol-2-one

Structural Information

Molecular Formula
C2H3N3OS
SMILES
C1(=NNC(=O)S1)N
InChI
InChI=1S/C2H3N3OS/c3-1-4-5-2(6)7-1/h(H2,3,4)(H,5,6)
InChIKey
ZXDPFAWIADNOFE-UHFFFAOYSA-N
Compound name
5-amino-3H-1,3,4-thiadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

116.99968 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 118.00696 117.0
[M+Na]+ 139.98890 127.7
[M-H]- 115.99240 117.3
[M+NH4]+ 135.03350 138.2
[M+K]+ 155.96284 125.1
[M+H-H2O]+ 99.996940 111.1
[M+HCOO]- 161.99788 135.9
[M+CH3COO]- 176.01353 163.4
[M+Na-2H]- 137.97435 120.9
[M]+ 116.99913 115.8
[M]- 117.00023 115.8
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