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 150.5
[M+Na]+ 260.08280 160.4
[M-H]- 236.08630 156.0
[M+NH4]+ 255.12740 168.4
[M+K]+ 276.05674 157.9
[M+H-H2O]+ 220.09084 143.3
[M+HCOO]- 282.09178 171.3
[M+CH3COO]- 296.10743 163.9
[M+Na-2H]- 258.06825 152.1
[M]+ 237.09303 155.8
[M]- 237.09413 155.8
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.