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]+ 222.07608 145.2
[M+Na]+ 244.05802 154.2
[M-H]- 220.06152 146.9
[M+NH4]+ 239.10262 162.8
[M+K]+ 260.03196 152.4
[M+H-H2O]+ 204.06606 139.6
[M+HCOO]- 266.06700 161.0
[M+CH3COO]- 280.08265 183.9
[M+Na-2H]- 242.04347 151.6
[M]+ 221.06825 144.6
[M]- 221.06935 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.