CID 66949

2-amino-5-methyl-1,3,4-thiadiazole

Structural Information

Molecular Formula
C3H5N3S
SMILES
CC1=NN=C(S1)N
InChI
InChI=1S/C3H5N3S/c1-2-5-6-3(4)7-2/h1H3,(H2,4,6)
InChIKey
HMPUHXCGUHDVBI-UHFFFAOYSA-N
Compound name
5-methyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

1867
Patents

115.02042 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe