CID 62385373

3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine

Structural Information

Molecular Formula
C7H11N3OS
SMILES
C1COCCC1C2=NSC(=N2)N
InChI
InChI=1S/C7H11N3OS/c8-7-9-6(10-12-7)5-1-3-11-4-2-5/h5H,1-4H2,(H2,8,9,10)
InChIKey
PVOZULHINMLWGY-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.06229 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.06957 136.6
[M+Na]+ 208.05151 144.1
[M-H]- 184.05501 140.9
[M+NH4]+ 203.09611 154.3
[M+K]+ 224.02545 142.7
[M+H-H2O]+ 168.05955 129.4
[M+HCOO]- 230.06049 152.1
[M+CH3COO]- 244.07614 149.1
[M+Na-2H]- 206.03696 139.0
[M]+ 185.06174 133.9
[M]- 185.06284 133.9
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

No patent data available for this compound.