CID 7130853

1052552-32-5

Structural Information

Molecular Formula
C11H15N3OS
SMILES
C1=CSC(=C1)C2=NOC(=N2)CCCCCN
InChI
InChI=1S/C11H15N3OS/c12-7-3-1-2-6-10-13-11(14-15-10)9-5-4-8-16-9/h4-5,8H,1-3,6-7,12H2
InChIKey
QNBFNACJRXEQLL-UHFFFAOYSA-N
Compound name
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.09358 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10086 151.9
[M+Na]+ 260.08280 163.1
[M+NH4]+ 255.12740 159.7
[M+K]+ 276.05674 158.6
[M-H]- 236.08630 155.9
[M+Na-2H]- 258.06825 157.6
[M]+ 237.09303 154.9
[M]- 237.09413 154.9
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.