CID 12859508

5-methoxy-1,3-benzoxazole

Structural Information

Molecular Formula
C8H7NO2
SMILES
COC1=CC2=C(C=C1)OC=N2
InChI
InChI=1S/C8H7NO2/c1-10-6-2-3-8-7(4-6)9-5-11-8/h2-5H,1H3
InChIKey
IQQKXTVYGHYXFX-UHFFFAOYSA-N
Compound name
5-methoxy-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1417
Patents

149.04768 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 124.0
[M+Na]+ 172.03690 135.4
[M-H]- 148.04040 128.9
[M+NH4]+ 167.08150 146.0
[M+K]+ 188.01084 134.8
[M+H-H2O]+ 132.04494 118.3
[M+HCOO]- 194.04588 149.4
[M+CH3COO]- 208.06153 140.0
[M+Na-2H]- 170.02235 134.6
[M]+ 149.04713 129.0
[M]- 149.04823 129.0
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