CID 11693915

1,3-benzoxazol-6-ol

Structural Information

Molecular Formula
C7H5NO2
SMILES
C1=CC2=C(C=C1O)OC=N2
InChI
InChI=1S/C7H5NO2/c9-5-1-2-6-7(3-5)10-4-8-6/h1-4,9H
InChIKey
SAHAKBXWZLDNAA-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1395
Patents

135.03203 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.03931 119.8
[M+Na]+ 158.02125 131.2
[M-H]- 134.02475 123.4
[M+NH4]+ 153.06585 141.6
[M+K]+ 173.99519 129.9
[M+H-H2O]+ 118.02929 114.5
[M+HCOO]- 180.03023 144.0
[M+CH3COO]- 194.04588 135.5
[M+Na-2H]- 156.00670 130.5
[M]+ 135.03148 122.6
[M]- 135.03258 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

literature stripe

Patent stripe

patents stripe