CID 4085892

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

Structural Information

Molecular Formula
C6H9N3OS
SMILES
C1CC(OC1)C2=NN=C(S2)N
InChI
InChI=1S/C6H9N3OS/c7-6-9-8-5(11-6)4-2-1-3-10-4/h4H,1-3H2,(H2,7,9)
InChIKey
OPDRNIZRTJOIEJ-UHFFFAOYSA-N
Compound name
5-(oxolan-2-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

171.04663 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05391 132.6
[M+Na]+ 194.03585 141.6
[M-H]- 170.03935 137.7
[M+NH4]+ 189.08045 152.8
[M+K]+ 210.00979 140.9
[M+H-H2O]+ 154.04389 126.2
[M+HCOO]- 216.04483 150.7
[M+CH3COO]- 230.06048 146.4
[M+Na-2H]- 192.02130 133.9
[M]+ 171.04608 132.0
[M]- 171.04718 132.0
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