CID 135429940

51110-58-8

Structural Information

Molecular Formula
C8H7NO2
SMILES
CC1=NOC2=CC=CC(=C12)O
InChI
InChI=1S/C8H7NO2/c1-5-8-6(10)3-2-4-7(8)11-9-5/h2-4,10H,1H3
InChIKey
QJKWESZXKFJXGT-UHFFFAOYSA-N
Compound name
3-methyl-1,2-benzoxazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
Patents

149.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.054956 124.6
[M+Na]+ 172.036898 136.5
[M-H]- 148.040404 128.5
[M+NH4]+ 167.081503 146.2
[M+K]+ 188.010838 135.0
[M+H-H2O]+ 132.044940 119.4
[M+HCOO]- 194.045881 148.4
[M+CH3COO]- 208.061531 140.2
[M+Na-2H]- 170.022346 134.0
[M]+ 149.04713142 128.1
[M]- 149.04822858 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

No literature data available for this compound.

Patent stripe

patents stripe