CID 3042977

54903-66-1

Structural Information

Molecular Formula
C9H7NO3
SMILES
CN1C2=C(C=C(C=C2)C=O)OC1=O
InChI
InChI=1S/C9H7NO3/c1-10-7-3-2-6(5-11)4-8(7)13-9(10)12/h2-5H,1H3
InChIKey
VNHQFRPZBXFNTO-UHFFFAOYSA-N
Compound name
3-methyl-2-oxo-1,3-benzoxazole-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

38
Patents

177.04259 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.04987 131.4
[M+Na]+ 200.03181 146.2
[M+NH4]+ 195.07641 139.5
[M+K]+ 216.00575 142.3
[M-H]- 176.03531 133.9
[M+Na-2H]- 198.01726 137.4
[M]+ 177.04204 134.2
[M]- 177.04314 134.2
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