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]+ 178.04987 130.6
[M+Na]+ 200.03181 142.6
[M-H]- 176.03531 135.7
[M+NH4]+ 195.07641 151.6
[M+K]+ 216.00575 141.7
[M+H-H2O]+ 160.03985 124.8
[M+HCOO]- 222.04079 156.0
[M+CH3COO]- 236.05644 178.6
[M+Na-2H]- 198.01726 140.0
[M]+ 177.04204 137.1
[M]- 177.04314 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.