CID 38715

2(3h)-benzoxazolone, 5-methoxy-

Structural Information

Molecular Formula
C8H7NO3
SMILES
COC1=CC2=C(C=C1)OC(=O)N2
InChI
InChI=1S/C8H7NO3/c1-11-5-2-3-7-6(4-5)9-8(10)12-7/h2-4H,1H3,(H,9,10)
InChIKey
YOLHKYWNQMSMDN-UHFFFAOYSA-N
Compound name
5-methoxy-3H-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

150
Patents

165.04259 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 126.9
[M+Na]+ 188.031808 138.9
[M-H]- 164.035314 130.8
[M+NH4]+ 183.076413 147.7
[M+K]+ 204.005748 137.3
[M+H-H2O]+ 148.039850 121.5
[M+HCOO]- 210.040791 151.1
[M+CH3COO]- 224.056441 173.1
[M+Na-2H]- 186.017256 136.3
[M]+ 165.04204142 131.2
[M]- 165.04313858 131.2
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