CID 3012594

1-(1,3,4-thiadiazol-2-yl)guanidine

Structural Information

Molecular Formula
C3H5N5S
SMILES
C1=NN=C(S1)N=C(N)N
InChI
InChI=1S/C3H5N5S/c4-2(5)7-3-8-6-1-9-3/h1H,(H4,4,5,7,8)
InChIKey
VOOHWALMYRIASO-UHFFFAOYSA-N
Compound name
2-(1,3,4-thiadiazol-2-yl)guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

143.02657 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.03385 123.8
[M+Na]+ 166.01579 132.2
[M-H]- 142.01929 126.0
[M+NH4]+ 161.06039 144.1
[M+K]+ 181.98973 130.6
[M+H-H2O]+ 126.02383 116.2
[M+HCOO]- 188.02477 145.6
[M+CH3COO]- 202.04042 177.8
[M+Na-2H]- 164.00124 128.0
[M]+ 143.02602 121.7
[M]- 143.02712 121.7
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