CID 21469959

55559-31-4

Structural Information

Molecular Formula

SMILES

C1=CC2=C(C(=C1)O)ON=C2

InChI

InChI=1S/C7H5NO2/c9-6-3-1-2-5-4-8-10-7(5)6/h1-4,9H

InChIKey

IUWKCOMOHIDVRE-UHFFFAOYSA-N

Compound name

1,2-benzoxazol-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 135.03203 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe