CID 82057829

1216146-86-9

Structural Information

Molecular Formula
C11H11NO4
SMILES
CC1(C(=O)NC2=C(O1)C=C(C=C2)C(=O)O)C
InChI
InChI=1S/C11H11NO4/c1-11(2)10(15)12-7-4-3-6(9(13)14)5-8(7)16-11/h3-5H,1-2H3,(H,12,15)(H,13,14)
InChIKey
FUUSADZGQNVUJI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-oxo-4H-1,4-benzoxazine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 145.2
[M+Na]+ 244.058018 154.2
[M-H]- 220.061524 146.9
[M+NH4]+ 239.102623 162.8
[M+K]+ 260.031958 152.4
[M+H-H2O]+ 204.066060 139.6
[M+HCOO]- 266.067001 161.0
[M+CH3COO]- 280.082651 183.9
[M+Na-2H]- 242.043466 151.6
[M]+ 221.06825142 144.6
[M]- 221.06934858 144.6
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.