CID 331500

Nsc324047

Structural Information

Molecular Formula
C11H11NO5
SMILES
CC(=O)OCC1=CC2=C(C=C1)OC(=O)NC2O
InChI
InChI=1S/C11H11NO5/c1-6(13)16-5-7-2-3-9-8(4-7)10(14)12-11(15)17-9/h2-4,10,14H,5H2,1H3,(H,12,15)
InChIKey
SECBXWYCTJSPHC-UHFFFAOYSA-N
Compound name
(4-hydroxy-2-oxo-3,4-dihydro-1,3-benzoxazin-6-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.06372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07100 148.4
[M+Na]+ 260.05294 156.4
[M-H]- 236.05644 149.7
[M+NH4]+ 255.09754 163.3
[M+K]+ 276.02688 154.8
[M+H-H2O]+ 220.06098 141.9
[M+HCOO]- 282.06192 164.5
[M+CH3COO]- 296.07757 186.0
[M+Na-2H]- 258.03839 153.7
[M]+ 237.06317 148.8
[M]- 237.06427 148.8
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.