CID 10997027

5-cyclopropyl-1,2-oxazol-3-ol

Structural Information

Molecular Formula
C6H7NO2
SMILES
C1CC1C2=CC(=O)NO2
InChI
InChI=1S/C6H7NO2/c8-6-3-5(9-7-6)4-1-2-4/h3-4H,1-2H2,(H,7,8)
InChIKey
NKUDCPHXLOHDMN-UHFFFAOYSA-N
Compound name
5-cyclopropyl-1,2-oxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

125.047676 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 122.0
[M+Na]+ 148.036894 133.4
[M-H]- 124.040400 128.2
[M+NH4]+ 143.081499 138.0
[M+K]+ 164.010834 131.4
[M+H-H2O]+ 108.044936 115.9
[M+HCOO]- 170.045877 145.3
[M+CH3COO]- 184.061527 169.2
[M+Na-2H]- 146.022342 129.4
[M]+ 125.04712742 124.5
[M]- 125.04822458 124.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe