CID 105724

67828-39-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05316 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.6
[M+Na]+ 218.04238 146.0
[M-H]- 194.04588 140.2
[M+NH4]+ 213.08698 156.4
[M+K]+ 234.01632 144.3
[M+H-H2O]+ 178.05042 133.1
[M+HCOO]- 240.05136 160.5
[M+CH3COO]- 254.06701 181.2
[M+Na-2H]- 216.02783 142.3
[M]+ 195.05261 137.8
[M]- 195.05371 137.8
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.