CID 28388418

5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C10H11N3OS
SMILES
C1CCC2=C(C1)C=C(S2)C3=NN=C(O3)N
InChI
InChI=1S/C10H11N3OS/c11-10-13-12-9(14-10)8-5-6-3-1-2-4-7(6)15-8/h5H,1-4H2,(H2,11,13)
InChIKey
FUUQAUPFODNGDT-UHFFFAOYSA-N
Compound name
5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.06229 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06957 143.8
[M+Na]+ 244.05151 154.6
[M-H]- 220.05501 150.3
[M+NH4]+ 239.09611 163.5
[M+K]+ 260.02545 152.1
[M+H-H2O]+ 204.05955 137.7
[M+HCOO]- 266.06049 162.2
[M+CH3COO]- 280.07614 157.6
[M+Na-2H]- 242.03696 146.4
[M]+ 221.06174 145.6
[M]- 221.06284 145.6
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.