CID 90329

23999-64-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
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

literature stripe

Patent stripe

patents stripe