CID 2783999

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

Structural Information

Molecular Formula
C10H9NO4
SMILES
C1=CC=C2C(=C1)NC(=O)C(O2)CC(=O)O
InChI
InChI=1S/C10H9NO4/c12-9(13)5-8-10(14)11-6-3-1-2-4-7(6)15-8/h1-4,8H,5H2,(H,11,14)(H,12,13)
InChIKey
GBWCBWJRILQTBI-UHFFFAOYSA-N
Compound name
2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

207.05316 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.060436 141.0
[M+Na]+ 230.042378 148.5
[M-H]- 206.045884 142.1
[M+NH4]+ 225.086983 156.8
[M+K]+ 246.016318 146.5
[M+H-H2O]+ 190.050420 134.6
[M+HCOO]- 252.051361 157.2
[M+CH3COO]- 266.067011 180.1
[M+Na-2H]- 228.027826 147.4
[M]+ 207.05261142 139.2
[M]- 207.05370858 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe