CID 11412577

89942-57-4

Structural Information

Molecular Formula
C8H7NO3
SMILES
COC1=CC2=C(C=C1)C(=O)NO2
InChI
InChI=1S/C8H7NO3/c1-11-5-2-3-6-7(4-5)12-9-8(6)10/h2-4H,1H3,(H,9,10)
InChIKey
WVBAYYGFAJXJEX-UHFFFAOYSA-N
Compound name
6-methoxy-1,2-benzoxazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

165.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 128.3
[M+Na]+ 188.03181 142.4
[M+NH4]+ 183.07641 136.5
[M+K]+ 204.00575 138.8
[M-H]- 164.03531 130.5
[M+Na-2H]- 186.01726 134.3
[M]+ 165.04204 130.8
[M]- 165.04314 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe