CID 84649495

1-(5-cyclopropylisoxazol-4-yl)ethan-1-one

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=O)C1=C(ON=C1)C2CC2
InChI
InChI=1S/C8H9NO2/c1-5(10)7-4-9-11-8(7)6-2-3-6/h4,6H,2-3H2,1H3
InChIKey
PJZCSOJLEALPJP-UHFFFAOYSA-N
Compound name
1-(5-cyclopropyl-1,2-oxazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

151.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 133.1
[M+Na]+ 174.05254 146.2
[M+NH4]+ 169.09714 141.8
[M+K]+ 190.02648 144.4
[M-H]- 150.05604 142.9
[M+Na-2H]- 172.03799 141.3
[M]+ 151.06277 138.7
[M]- 151.06387 138.7
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