CID 391474

2-oxo-2,3-dihydro-1,3-benzoxazole-6-carbaldehyde

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=CC2=C(C=C1C=O)OC(=O)N2
InChI
InChI=1S/C8H5NO3/c10-4-5-1-2-6-7(3-5)12-8(11)9-6/h1-4H,(H,9,11)
InChIKey
IMJHZVCEOBDHMM-UHFFFAOYSA-N
Compound name
2-oxo-3H-1,3-benzoxazole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

165
Patents

163.02695 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.034226 125.8
[M+Na]+ 186.016168 138.1
[M-H]- 162.019674 129.7
[M+NH4]+ 181.060773 146.5
[M+K]+ 201.990108 135.9
[M+H-H2O]+ 146.024210 120.5
[M+HCOO]- 208.025151 150.2
[M+CH3COO]- 222.040801 172.3
[M+Na-2H]- 184.001616 135.2
[M]+ 163.02640142 129.4
[M]- 163.02749858 129.4
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