CID 335289

Nsc343757

Structural Information

Molecular Formula
C10H11NO4
SMILES
COCC1=CC2=C(C=C1)OC(=O)NC2O
InChI
InChI=1S/C10H11NO4/c1-14-5-6-2-3-8-7(4-6)9(12)11-10(13)15-8/h2-4,9,12H,5H2,1H3,(H,11,13)
InChIKey
WRUKMCXRVKLNRV-UHFFFAOYSA-N
Compound name
4-hydroxy-6-(methoxymethyl)-3,4-dihydro-1,3-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.2
[M+Na]+ 232.05802 150.6
[M-H]- 208.06152 143.5
[M+NH4]+ 227.10262 158.4
[M+K]+ 248.03196 148.8
[M+H-H2O]+ 192.06606 135.8
[M+HCOO]- 254.06700 159.2
[M+CH3COO]- 268.08265 181.2
[M+Na-2H]- 230.04347 149.0
[M]+ 209.06825 142.1
[M]- 209.06935 142.1
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

No patent data available for this compound.