CID 15375012

187608-21-5

Structural Information

Molecular Formula
C11H9NO6
SMILES
CCOC(=O)OC1=CC2=C(C=C1)C(=O)NC(=O)O2
InChI
InChI=1S/C11H9NO6/c1-2-16-11(15)17-6-3-4-7-8(5-6)18-10(14)12-9(7)13/h3-5H,2H2,1H3,(H,12,13,14)
InChIKey
LZOFUEWJEMLRRE-UHFFFAOYSA-N
Compound name
(2,4-dioxo-1,3-benzoxazin-7-yl) ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

251.04298 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.05026 147.3
[M+Na]+ 274.03220 157.8
[M-H]- 250.03570 150.8
[M+NH4]+ 269.07680 162.4
[M+K]+ 290.00614 156.9
[M+H-H2O]+ 234.04024 140.2
[M+HCOO]- 296.04118 168.1
[M+CH3COO]- 310.05683 188.7
[M+Na-2H]- 272.01765 155.0
[M]+ 251.04243 153.0
[M]- 251.04353 153.0
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