CID 53418487

5-cyclopentyl-1,2,4-oxadiazol-3-amine

Structural Information

Molecular Formula
C7H11N3O
SMILES
C1CCC(C1)C2=NC(=NO2)N
InChI
InChI=1S/C7H11N3O/c8-7-9-6(11-10-7)5-3-1-2-4-5/h5H,1-4H2,(H2,8,10)
InChIKey
JCRLTRQAWGIGHZ-UHFFFAOYSA-N
Compound name
5-cyclopentyl-1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.09749 129.9
[M+Na]+ 176.07943 137.3
[M-H]- 152.08293 134.3
[M+NH4]+ 171.12403 149.8
[M+K]+ 192.05337 137.1
[M+H-H2O]+ 136.08747 122.5
[M+HCOO]- 198.08841 152.4
[M+CH3COO]- 212.10406 143.5
[M+Na-2H]- 174.06488 134.0
[M]+ 153.08966 127.0
[M]- 153.09076 127.0
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.