CID 43627783

2839144-03-3

Structural Information

Molecular Formula
C9H11N3OS
SMILES
C1=CSC=C1C2=NOC(=N2)CCCN
InChI
InChI=1S/C9H11N3OS/c10-4-1-2-8-11-9(12-13-8)7-3-5-14-6-7/h3,5-6H,1-2,4,10H2
InChIKey
JQGYHDSBXQBTQZ-UHFFFAOYSA-N
Compound name
3-(3-thiophen-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

209.06229 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06957 141.7
[M+Na]+ 232.05151 152.5
[M-H]- 208.05501 147.5
[M+NH4]+ 227.09611 160.8
[M+K]+ 248.02545 150.4
[M+H-H2O]+ 192.05955 134.9
[M+HCOO]- 254.06049 163.2
[M+CH3COO]- 268.07614 155.9
[M+Na-2H]- 230.03696 144.3
[M]+ 209.06174 146.3
[M]- 209.06284 146.3
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.