CID 21183363

4-methyl-1,2,3-thiadiazol-5-amine

Structural Information

Molecular Formula
C3H5N3S
SMILES
CC1=C(SN=N1)N
InChI
InChI=1S/C3H5N3S/c1-2-3(4)7-6-5-2/h4H2,1H3
InChIKey
SFSIEYMUSZBOJK-UHFFFAOYSA-N
Compound name
4-methylthiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

115.02042 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.027696 117.8
[M+Na]+ 138.009638 128.5
[M-H]- 114.013144 119.4
[M+NH4]+ 133.054243 140.1
[M+K]+ 153.983578 126.8
[M+H-H2O]+ 98.017680 111.7
[M+HCOO]- 160.018621 137.6
[M+CH3COO]- 174.034271 167.8
[M+Na-2H]- 135.995086 121.7
[M]+ 115.01987142 118.2
[M]- 115.02096858 118.2
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