CID 82651518

1-(3-cyclopropyl-1,2-oxazol-4-yl)ethan-1-one

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=O)C1=CON=C1C2CC2
InChI
InChI=1S/C8H9NO2/c1-5(10)7-4-11-9-8(7)6-2-3-6/h4,6H,2-3H2,1H3
InChIKey
RNROPRXHZGRHKT-UHFFFAOYSA-N
Compound name
1-(3-cyclopropyl-1,2-oxazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.06332 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 130.8
[M+Na]+ 174.052538 141.5
[M-H]- 150.056044 138.2
[M+NH4]+ 169.097143 146.4
[M+K]+ 190.026478 140.4
[M+H-H2O]+ 134.060580 124.2
[M+HCOO]- 196.061521 154.0
[M+CH3COO]- 210.077171 178.2
[M+Na-2H]- 172.037986 136.4
[M]+ 151.06277142 135.1
[M]- 151.06386858 135.1
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

No patent data available for this compound.