CID 20242116

1,3-benzoxazol-7-ol

Structural Information

Molecular Formula
C7H5NO2
SMILES
C1=CC2=C(C(=C1)O)OC=N2
InChI
InChI=1S/C7H5NO2/c9-6-3-1-2-5-7(6)10-4-8-5/h1-4,9H
InChIKey
SOQJEEOOJYUDGY-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

135.03203 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.039306 119.8
[M+Na]+ 158.021248 131.2
[M-H]- 134.024754 123.4
[M+NH4]+ 153.065853 141.6
[M+K]+ 173.995188 129.9
[M+H-H2O]+ 118.029290 114.5
[M+HCOO]- 180.030231 144.0
[M+CH3COO]- 194.045881 135.5
[M+Na-2H]- 156.006696 130.5
[M]+ 135.03148142 122.6
[M]- 135.03257858 122.6
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