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]+ 130.04335 122.9
[M+Na]+ 152.02529 132.0
[M-H]- 128.02879 124.2
[M+NH4]+ 147.06989 144.3
[M+K]+ 167.99923 130.6
[M+H-H2O]+ 112.03333 116.4
[M+HCOO]- 174.03427 141.4
[M+CH3COO]- 188.04992 170.6
[M+Na-2H]- 150.01074 125.9
[M]+ 129.03552 122.7
[M]- 129.03662 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