CID 221042

1,3,4-thiadiazol-2-amine, n-ethyl-

Structural Information

Molecular Formula
C4H7N3S
SMILES
CCNC1=NN=CS1
InChI
InChI=1S/C4H7N3S/c1-2-5-4-7-6-3-8-4/h3H,2H2,1H3,(H,5,7)
InChIKey
PINNQKFNRKECFX-UHFFFAOYSA-N
Compound name
N-ethyl-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

161
Patents

129.03607 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 121.9
[M+Na]+ 152.025288 131.2
[M-H]- 128.028794 123.5
[M+NH4]+ 147.069893 143.6
[M+K]+ 167.999228 129.8
[M+H-H2O]+ 112.033330 115.2
[M+HCOO]- 174.034271 142.0
[M+CH3COO]- 188.049921 170.4
[M+Na-2H]- 150.010736 127.0
[M]+ 129.03552142 123.2
[M]- 129.03661858 123.2
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