CID 46387

5-methoxy-1,3-benzoxazol-2-amine

Structural Information

Molecular Formula
C8H8N2O2
SMILES
COC1=CC2=C(C=C1)OC(=N2)N
InChI
InChI=1S/C8H8N2O2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)
InChIKey
YCBIFQTZAQVLTQ-UHFFFAOYSA-N
Compound name
5-methoxy-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

19
Patents

164.05858 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.065856 128.8
[M+Na]+ 187.047798 140.2
[M-H]- 163.051304 133.5
[M+NH4]+ 182.092403 149.8
[M+K]+ 203.021738 139.1
[M+H-H2O]+ 147.055840 122.8
[M+HCOO]- 209.056781 154.6
[M+CH3COO]- 223.072431 178.5
[M+Na-2H]- 185.033246 138.1
[M]+ 164.05803142 132.5
[M]- 164.05912858 132.5
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