CID 64161147

3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H11N3O2
SMILES
C1=COC=C1C2=NOC(=N2)CCCN
InChI
InChI=1S/C9H11N3O2/c10-4-1-2-8-11-9(12-14-8)7-3-5-13-6-7/h3,5-6H,1-2,4,10H2
InChIKey
UQZOWXPPVNDTBL-UHFFFAOYSA-N
Compound name
3-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.092406 138.0
[M+Na]+ 216.074348 147.6
[M-H]- 192.077854 143.7
[M+NH4]+ 211.118953 155.1
[M+K]+ 232.048288 147.5
[M+H-H2O]+ 176.082390 130.6
[M+HCOO]- 238.083331 163.2
[M+CH3COO]- 252.098981 152.3
[M+Na-2H]- 214.059796 144.5
[M]+ 193.08458142 142.0
[M]- 193.08567858 142.0
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

No patent data available for this compound.