CID 63692078

5-(butan-2-yl)-1,2,4-oxadiazol-3-amine

Structural Information

Molecular Formula
C6H11N3O
SMILES
CCC(C)C1=NC(=NO1)N
InChI
InChI=1S/C6H11N3O/c1-3-4(2)5-8-6(7)9-10-5/h4H,3H2,1-2H3,(H2,7,9)
InChIKey
VUQAASCCQZTWOG-UHFFFAOYSA-N
Compound name
5-butan-2-yl-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

141.09021 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.09749 128.8
[M+Na]+ 164.07943 139.2
[M+NH4]+ 159.12403 136.0
[M+K]+ 180.05337 137.1
[M-H]- 140.08293 130.3
[M+Na-2H]- 162.06488 133.2
[M]+ 141.08966 130.4
[M]- 141.09076 130.4
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.