CID 66749409

1359823-72-5

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC(=O)C(=O)NC1=CC=C(C=C1)O
InChI
InChI=1S/C9H9NO4/c1-14-9(13)8(12)10-6-2-4-7(11)5-3-6/h2-5,11H,1H3,(H,10,12)
InChIKey
FDSNPGHQTLOUJK-UHFFFAOYSA-N
Compound name
methyl 2-(4-hydroxyanilino)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.05316 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 139.0
[M+Na]+ 218.042378 146.1
[M-H]- 194.045884 141.7
[M+NH4]+ 213.086983 157.4
[M+K]+ 234.016318 145.2
[M+H-H2O]+ 178.050420 133.0
[M+HCOO]- 240.051361 162.4
[M+CH3COO]- 254.067011 181.0
[M+Na-2H]- 216.027826 143.8
[M]+ 195.05261142 139.5
[M]- 195.05370858 139.5
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

patents stripe