CID 26444

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

Structural Information

Molecular Formula
C4H7N3S
SMILES
CCC1=NN=C(S1)N
InChI
InChI=1S/C4H7N3S/c1-2-3-6-7-4(5)8-3/h2H2,1H3,(H2,5,7)
InChIKey
QXTRPGAMVIONMK-UHFFFAOYSA-N
Compound name
5-ethyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

1043
Patents

129.03607 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 122.2
[M+Na]+ 152.025288 132.4
[M-H]- 128.028794 123.7
[M+NH4]+ 147.069893 143.9
[M+K]+ 167.999228 130.5
[M+H-H2O]+ 112.033330 115.9
[M+HCOO]- 174.034271 141.7
[M+CH3COO]- 188.049921 170.8
[M+Na-2H]- 150.010736 125.6
[M]+ 129.03552142 122.9
[M]- 129.03661858 122.9
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