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]+ 154.097486 129.9
[M+Na]+ 176.079428 137.3
[M-H]- 152.082934 134.3
[M+NH4]+ 171.124033 149.8
[M+K]+ 192.053368 137.1
[M+H-H2O]+ 136.087470 122.5
[M+HCOO]- 198.088411 152.4
[M+CH3COO]- 212.104061 143.5
[M+Na-2H]- 174.064876 134.0
[M]+ 153.08966142 127.0
[M]- 153.09075858 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.