CID 21333989

2-methylbenzo[d]oxazole-6-carbaldehyde

Structural Information

Molecular Formula
C9H7NO2
SMILES
CC1=NC2=C(O1)C=C(C=C2)C=O
InChI
InChI=1S/C9H7NO2/c1-6-10-8-3-2-7(5-11)4-9(8)12-6/h2-5H,1H3
InChIKey
ICPRUGIXGJLQHU-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzoxazole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

38
Patents

161.04768 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 128.6
[M+Na]+ 184.03690 143.5
[M+NH4]+ 179.08150 137.6
[M+K]+ 200.01084 138.9
[M-H]- 160.04040 131.8
[M+Na-2H]- 182.02235 135.5
[M]+ 161.04713 131.7
[M]- 161.04823 131.7
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