CID 66201008

5-cyclopentylisoxazol-3-amine

Structural Information

Molecular Formula
C8H12N2O
SMILES
C1CCC(C1)C2=CC(=NO2)N
InChI
InChI=1S/C8H12N2O/c9-8-5-7(11-10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H2,9,10)
InChIKey
SXLATPWUODSFIA-UHFFFAOYSA-N
Compound name
5-cyclopentyl-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

152.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.6
[M+Na]+ 175.08418 141.3
[M+NH4]+ 170.12878 140.3
[M+K]+ 191.05812 140.0
[M-H]- 151.08768 135.7
[M+Na-2H]- 173.06963 136.9
[M]+ 152.09441 133.8
[M]- 152.09551 133.8
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

patents stripe