CID 3381848

(2-methyl-3-oxo-2,3-dihydro-4h-1,4-benzoxazin-4-yl)acetic acid

Structural Information

Molecular Formula
C11H11NO4
SMILES
CC1C(=O)N(C2=CC=CC=C2O1)CC(=O)O
InChI
InChI=1S/C11H11NO4/c1-7-11(15)12(6-10(13)14)8-4-2-3-5-9(8)16-7/h2-5,7H,6H2,1H3,(H,13,14)
InChIKey
OYCNLQKASIVMDG-UHFFFAOYSA-N
Compound name
2-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.0688 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 146.0
[M+Na]+ 244.05802 158.3
[M+NH4]+ 239.10262 152.8
[M+K]+ 260.03196 153.8
[M-H]- 220.06152 147.6
[M+Na-2H]- 242.04347 149.4
[M]+ 221.06825 148.0
[M]- 221.06935 148.0
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

No patent data available for this compound.