CID 676504

2-methylbenzo[d]oxazol-6-ol

Structural Information

Molecular Formula
C8H7NO2
SMILES
CC1=NC2=C(O1)C=C(C=C2)O
InChI
InChI=1S/C8H7NO2/c1-5-9-7-3-2-6(10)4-8(7)11-5/h2-4,10H,1H3
InChIKey
RZKJWYDRDBVDJJ-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzoxazol-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

201
Patents

149.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 125.2
[M+Na]+ 172.03690 139.7
[M+NH4]+ 167.08150 134.3
[M+K]+ 188.01084 135.8
[M-H]- 148.04040 128.2
[M+Na-2H]- 170.02235 131.9
[M]+ 149.04713 128.1
[M]- 149.04823 128.1
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