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]+ 196.06044 139.0
[M+Na]+ 218.04238 146.1
[M-H]- 194.04588 141.7
[M+NH4]+ 213.08698 157.4
[M+K]+ 234.01632 145.2
[M+H-H2O]+ 178.05042 133.0
[M+HCOO]- 240.05136 162.4
[M+CH3COO]- 254.06701 181.0
[M+Na-2H]- 216.02783 143.8
[M]+ 195.05261 139.5
[M]- 195.05371 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