CID 21322

Benzadox

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=CC=C(C=C1)C(=O)NOCC(=O)O
InChI
InChI=1S/C9H9NO4/c11-8(12)6-14-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
InChIKey
WDRGQGLIUAMOOC-UHFFFAOYSA-N
Compound name
2-benzamidooxyacetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5255
Patents

195.05316 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 139.0
[M+Na]+ 218.042378 144.9
[M-H]- 194.045884 141.2
[M+NH4]+ 213.086983 156.8
[M+K]+ 234.016318 144.0
[M+H-H2O]+ 178.050420 132.6
[M+HCOO]- 240.051361 162.4
[M+CH3COO]- 254.067011 181.1
[M+Na-2H]- 216.027826 144.5
[M]+ 195.05261142 139.2
[M]- 195.05370858 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