CID 16227256

923189-35-9

Structural Information

Molecular Formula
C12H9NO3
SMILES
CC1=C(CC(=O)O1)C2=NC3=CC=CC=C3O2
InChI
InChI=1S/C12H9NO3/c1-7-8(6-11(14)15-7)12-13-9-4-2-3-5-10(9)16-12/h2-5H,6H2,1H3
InChIKey
QTDPBMLBWOODIE-UHFFFAOYSA-N
Compound name
4-(1,3-benzoxazol-2-yl)-5-methyl-3H-furan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06552 141.5
[M+Na]+ 238.04746 153.5
[M-H]- 214.05096 150.7
[M+NH4]+ 233.09206 161.3
[M+K]+ 254.02140 152.7
[M+H-H2O]+ 198.05550 136.3
[M+HCOO]- 260.05644 165.7
[M+CH3COO]- 274.07209 157.1
[M+Na-2H]- 236.03291 147.6
[M]+ 215.05769 147.0
[M]- 215.05879 147.0
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

No patent data available for this compound.