CID 19020183

180716-28-3

Structural Information

Molecular Formula
C7H5NO2
SMILES
C1=CC2=C(C=C1O)N=CO2
InChI
InChI=1S/C7H5NO2/c9-5-1-2-7-6(3-5)8-4-10-7/h1-4,9H
InChIKey
UPPYOQWUJKAFSG-UHFFFAOYSA-N
Compound name
1,3-benzoxazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1518
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

No literature data available for this compound.

Patent stripe

patents stripe