CID 21832051

1-(1,2,3-thiadiazol-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C4H7N3S
SMILES
CC(C1=CSN=N1)N
InChI
InChI=1S/C4H7N3S/c1-3(5)4-2-8-7-6-4/h2-3H,5H2,1H3
InChIKey
FCHATYDZVDLWCX-UHFFFAOYSA-N
Compound name
1-(thiadiazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
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 122.9
[M+Na]+ 152.025288 132.0
[M-H]- 128.028794 124.2
[M+NH4]+ 147.069893 144.3
[M+K]+ 167.999228 130.6
[M+H-H2O]+ 112.033330 116.4
[M+HCOO]- 174.034271 141.4
[M+CH3COO]- 188.049921 170.6
[M+Na-2H]- 150.010736 125.9
[M]+ 129.03552142 122.7
[M]- 129.03661858 122.7
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