CID 79759

5-methoxy-2-methylbenzoxazole

Structural Information

Molecular Formula
C9H9NO2
SMILES
CC1=NC2=C(O1)C=CC(=C2)OC
InChI
InChI=1S/C9H9NO2/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3
InChIKey
WCXSVOWHNXWHRT-UHFFFAOYSA-N
Compound name
5-methoxy-2-methyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

163.06332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.07060 128.7
[M+Na]+ 186.05254 140.6
[M-H]- 162.05604 133.8
[M+NH4]+ 181.09714 150.5
[M+K]+ 202.02648 139.8
[M+H-H2O]+ 146.06058 123.1
[M+HCOO]- 208.06152 153.8
[M+CH3COO]- 222.07717 177.3
[M+Na-2H]- 184.03799 138.1
[M]+ 163.06277 134.5
[M]- 163.06387 134.5
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