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]+ 194.09241 138.0
[M+Na]+ 216.07435 147.6
[M-H]- 192.07785 143.7
[M+NH4]+ 211.11895 155.1
[M+K]+ 232.04829 147.5
[M+H-H2O]+ 176.08239 130.6
[M+HCOO]- 238.08333 163.2
[M+CH3COO]- 252.09898 152.3
[M+Na-2H]- 214.05980 144.5
[M]+ 193.08458 142.0
[M]- 193.08568 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.