CID 25824

Refchem:909809

Structural Information

Molecular Formula
C4H7N3S
SMILES
C1=NN=C(S1)CCN
InChI
InChI=1S/C4H7N3S/c5-2-1-4-7-6-3-8-4/h3H,1-2,5H2
InChIKey
QXIKYRCHORWLLW-UHFFFAOYSA-N
Compound name
2-(1,3,4-thiadiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

45
Patents

129.03607 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.043346 122.0
[M+Na]+ 152.025288 131.4
[M-H]- 128.028794 123.1
[M+NH4]+ 147.069893 143.4
[M+K]+ 167.999228 129.5
[M+H-H2O]+ 112.033330 115.4
[M+HCOO]- 174.034271 141.6
[M+CH3COO]- 188.049921 169.7
[M+Na-2H]- 150.010736 126.2
[M]+ 129.03552142 122.4
[M]- 129.03661858 122.4
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