CID 67527092

7-hydroxy-3,4-dihydro-2h-1,3-benzoxazin-2-one

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1C2=C(C=C(C=C2)O)OC(=O)N1
InChI
InChI=1S/C8H7NO3/c10-6-2-1-5-4-9-8(11)12-7(5)3-6/h1-3,10H,4H2,(H,9,11)
InChIKey
ACLPXHIBSCDLOU-UHFFFAOYSA-N
Compound name
7-hydroxy-3,4-dihydro-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

165.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 129.9
[M+Na]+ 188.031808 138.5
[M-H]- 164.035314 131.4
[M+NH4]+ 183.076413 147.7
[M+K]+ 204.005748 136.5
[M+H-H2O]+ 148.039850 124.1
[M+HCOO]- 210.040791 147.5
[M+CH3COO]- 224.056441 171.6
[M+Na-2H]- 186.017256 138.6
[M]+ 165.04204142 127.3
[M]- 165.04313858 127.3
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