CID 504665

Chembl81469

Structural Information

Molecular Formula
C11H9NO3
SMILES
C=CCOC1=NC2=CC=CC=C2C(=O)O1
InChI
InChI=1S/C11H9NO3/c1-2-7-14-11-12-9-6-4-3-5-8(9)10(13)15-11/h2-6H,1,7H2
InChIKey
YXDVRUYLFGEDSW-UHFFFAOYSA-N
Compound name
2-prop-2-enoxy-3,1-benzoxazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 138.9
[M+Na]+ 226.04746 149.4
[M-H]- 202.05096 143.3
[M+NH4]+ 221.09206 156.7
[M+K]+ 242.02140 147.5
[M+H-H2O]+ 186.05550 131.9
[M+HCOO]- 248.05644 161.5
[M+CH3COO]- 262.07209 184.3
[M+Na-2H]- 224.03291 148.8
[M]+ 203.05769 143.1
[M]- 203.05879 143.1
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.