CID 345762

2-methyl-1,3-benzoxazol-4-ol

Structural Information

Molecular Formula
C8H7NO2
SMILES
CC1=NC2=C(C=CC=C2O1)O
InChI
InChI=1S/C8H7NO2/c1-5-9-8-6(10)3-2-4-7(8)11-5/h2-4,10H,1H3
InChIKey
XIYDNMUWIWSMKX-UHFFFAOYSA-N
Compound name
2-methyl-1,3-benzoxazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

105
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 124.6
[M+Na]+ 172.03690 136.5
[M-H]- 148.04040 128.5
[M+NH4]+ 167.08150 146.2
[M+K]+ 188.01084 135.0
[M+H-H2O]+ 132.04494 119.4
[M+HCOO]- 194.04588 148.4
[M+CH3COO]- 208.06153 140.2
[M+Na-2H]- 170.02235 134.0
[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