CID 55253585

6-methoxy-1,3-benzoxazole-2-carbaldehyde

Structural Information

Molecular Formula
C9H7NO3
SMILES
COC1=CC2=C(C=C1)N=C(O2)C=O
InChI
InChI=1S/C9H7NO3/c1-12-6-2-3-7-8(4-6)13-9(5-11)10-7/h2-5H,1H3
InChIKey
HWLVJZCWYPHIOO-UHFFFAOYSA-N
Compound name
6-methoxy-1,3-benzoxazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.04259 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 130.6
[M+Na]+ 200.031808 142.6
[M-H]- 176.035314 135.7
[M+NH4]+ 195.076413 151.6
[M+K]+ 216.005748 141.7
[M+H-H2O]+ 160.039850 124.8
[M+HCOO]- 222.040791 156.0
[M+CH3COO]- 236.056441 178.6
[M+Na-2H]- 198.017256 140.0
[M]+ 177.04204142 137.1
[M]- 177.04313858 137.1
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.