CID 24279047

99843-41-1

Structural Information

Molecular Formula
C11H11NO4
SMILES
CC1=CC2=C(C=C1)OC(=O)CN2CC(=O)O
InChI
InChI=1S/C11H11NO4/c1-7-2-3-9-8(4-7)12(5-10(13)14)6-11(15)16-9/h2-4H,5-6H2,1H3,(H,13,14)
InChIKey
ADHAEFMNBBGTJC-UHFFFAOYSA-N
Compound name
2-(6-methyl-2-oxo-3H-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

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 144.9
[M+Na]+ 244.05802 153.3
[M-H]- 220.06152 147.6
[M+NH4]+ 239.10262 161.1
[M+K]+ 260.03196 152.0
[M+H-H2O]+ 204.06606 138.3
[M+HCOO]- 266.06700 162.2
[M+CH3COO]- 280.08265 186.8
[M+Na-2H]- 242.04347 150.5
[M]+ 221.06825 145.7
[M]- 221.06935 145.7
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.