CID 59394613

5-(oxan-4-yl)-1,2-oxazol-3-amine

Structural Information

Molecular Formula
C8H12N2O2
SMILES
C1COCCC1C2=CC(=NO2)N
InChI
InChI=1S/C8H12N2O2/c9-8-5-7(12-10-8)6-1-3-11-4-2-6/h5-6H,1-4H2,(H2,9,10)
InChIKey
NXWXAAISMSSXNI-UHFFFAOYSA-N
Compound name
5-(oxan-4-yl)-1,2-oxazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

168.08987 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.09715 135.1
[M+Na]+ 191.07909 145.9
[M+NH4]+ 186.12369 143.4
[M+K]+ 207.05303 143.2
[M-H]- 167.08259 140.7
[M+Na-2H]- 189.06454 140.3
[M]+ 168.08932 138.0
[M]- 168.09042 138.0
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

patents stripe