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
2
Annotation Hits

0
References

82
Patents

163.06332 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.070596 128.7
[M+Na]+ 186.052538 140.6
[M-H]- 162.056044 133.8
[M+NH4]+ 181.097143 150.5
[M+K]+ 202.026478 139.8
[M+H-H2O]+ 146.060580 123.1
[M+HCOO]- 208.061521 153.8
[M+CH3COO]- 222.077171 177.3
[M+Na-2H]- 184.037986 138.1
[M]+ 163.06277142 134.5
[M]- 163.06386858 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