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

3
Patents

125.047676 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 125.6
[M+Na]+ 148.03689 138.9
[M+NH4]+ 143.08150 134.4
[M+K]+ 164.01083 137.0
[M-H]- 124.04040 135.2
[M+Na-2H]- 146.02234 134.0
[M]+ 125.04713 131.2
[M]- 125.04822 131.2
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